ethyl 5-[3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate

Systemtic Name: ethyl 5-[3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Openeye Name: ethyl 5-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylate CAS Name: 5-[3-(1-benzimidazolyl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(4-methylphenyl)indole-3-carboxylate Traditional Name: 5-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]-2-methyl-1-(p-tolyl)indole-3-carboxylic acid ethyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C=NC4=CC=CC=C43)O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C=NC4=CC=CC=C43)O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C29H29N3O4/c1-4-35-29(34)28-20(3)32(21-11-9-19(2)10-12-21)26-14-13-23(15-24(26)28)36-17-22(33)16-31-18-30-25-7-5-6-8-27(25)31/h5-15,18,22,33H,4,16-17H2,1-3H3