ethyl 1,2-dimethyl-5-[2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propoxy]indole-3-carboxylate

Systemtic Name: ethyl 1,2-dimethyl-5-[2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propoxy]indole-3-carboxylate Openeye Name: ethyl 5-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylate CAS Name: 5-[2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propoxy]-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropoxy]-1,2-dimethylindole-3-carboxylate Traditional Name: 5-[3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propoxy]-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C4=CC=CC=C4N=C3CC5=CC=CC=C5)O)C)C

InChI

InChI=1S/C30H31N3O4/c1-4-36-30(35)29-20(2)32(3)26-15-14-23(17-24(26)29)37-19-22(34)18-33-27-13-9-8-12-25(27)31-28(33)16-21-10-6-5-7-11-21/h5-15,17,22,34H,4,16,18-19H2,1-3H3