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Overview of 5-(Benzyloxy)-2-(4-(Benzyloxy)Phenyl)-3-Methyl-1H-Indole

Client Email Product
4CH-019207
PharmaCompass
4CH-019207
Also known as: 198479-63-9, 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1h-indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole, 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole, 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1h-indole, 1h-indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
Molecular Formula
C29H25NO2
Molecular Weight
419.524  g/mol
InChI Key
KRIJKJMYOVWRSJ-UHFFFAOYSA-N

1 2D Structure

4CH-019207

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1H-indole
2.1.2 InChI
InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3
2.1.3 InChI Key
KRIJKJMYOVWRSJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 198479-63-9

2. 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-3-methyl-1h-indole

3. 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1h-indole

4. 5-benzyloxy-2-(4-benzyloxy-phenyl)-3-methyl-1h-indole

5. 5-(benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1h-indole

6. 1h-indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

7. Ss-3549

8. Ak112421

9. Q-102026

10. 5-benzyloxy-2-(4-benzyloxyphenyl)-3-methyl-1h-indole

11. Pubchem21386

12. Ac1my1dy

13. Schembl102598

14. C29h25no2

15. Ctk4e2537

16. Dtxsid30396923

17. Molport-005-933-380

18. 3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)-1h-indole

19. Ks-00000no6

20. Zinc2522382

21. Mfcd04004106

22. Rw3482

23. Akos000282525

24. Am84680

25. Cm-2219

26. Mcule-2245111268

27. Qc-2323

28. Acm198479639

29. Aj-37203

30. An-16118

31. Bc228168

32. He026238

33. Kb-40985

34. Ab0001054

35. Ax8088088

36. Db-014532

37. St2406014

38. 4ch-019207

39. Ft-0672185

40. Y1224

41. Tert-butoxycarbonyl-l-3,4-difluorophenylalanine

42. W-3908

43. 3-methyl-5-benzyloxy-2-(4-benzyloxyphenyl)indole

44. 479m639

45. I10-0755

46. 5-benzyloxy-2-(4-benzyloxy Phenyl)-3-methyl-1h-indole

47. 5-benzyloxy-2-(4benzyloxy-phenyl)-3-methyl-1h-indole

48. 1h-indole,3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-

2.3 Create Date
2005-09-11
3 Chemical and Physical Properties
Molecular Weight 419.524 g/mol
Molecular Formula C29H25NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass419.189 g/mol
Monoisotopic Mass419.189 g/mol
Topological Polar Surface Area34.2 A^2
Heavy Atom Count32
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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