ethyl 5-acetyloxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C31H33N3O4 MolecularWeight: 511.61142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C31H33N3O4/c1-4-37-31(36)30-26-20-25(38-23(3)35)14-15-28(26)34(24-11-6-5-7-12-24)29(30)21-32-16-18-33(19-17-32)27-13-9-8-10-22(27)2/h5-15,20H,4,16-19,21H2,1-3H3