[1-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methyl]-3-methyl-2-(4-phenylmethoxyphenyl)indol-5-yl] benzoate

Systemtic Name: [1-[[4-(2-hydroxyethyloxy)-3-methoxy-phenyl]methyl]-3-methyl-2-(4-phenylmethoxyphenyl)indol-5-yl] benzoate Openeye Name: [2-(4-benzyloxyphenyl)-1-[[4-(2-hydroxyethoxy)-3-methoxy-phenyl]methyl]-3-methyl-indol-5-yl] benzoate CAS Name: benzoic acid [1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-(4-phenylmethoxyphenyl)-5-indolyl] ester IUPAC Name: [1-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-methyl-2-(4-phenylmethoxyphenyl)indol-5-yl] benzoate Traditional Name: benzoic acid [2-(4-benzoxyphenyl)-1-[4-(2-hydroxyethoxy)-3-methoxy-benzyl]-3-methyl-indol-5-yl] ester Formula: C39H35NO6 MolecularWeight: 613.6983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)CC4=CC(=C(C=C4)OCCO)OC)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3)CC4=CC(=C(C=C4)OCCO)OC)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H35NO6/c1-27-34-24-33(46-39(42)31-11-7-4-8-12-31)18-19-35(34)40(25-29-13-20-36(44-22-21-41)37(23-29)43-2)38(27)30-14-16-32(17-15-30)45-26-28-9-5-3-6-10-28/h3-20,23-24,41H,21-22,25-26H2,1-2H3