ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[4-(o-tolyl)piperazin-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[4-(o-tolyl)piperazino]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C31H32BrN3O4 MolecularWeight: 590.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5C

InChI

InChI=1S/C31H32BrN3O4/c1-4-38-31(37)30-24-18-29(39-22(3)36)25(32)19-27(24)35(23-11-6-5-7-12-23)28(30)20-33-14-16-34(17-15-33)26-13-9-8-10-21(26)2/h5-13,18-19H,4,14-17,20H2,1-3H3