2-[6-[[2-(4-chlorophenyl)phenyl]methyl]-3-ethyl-5-methoxy-2-methyl-4-piperazin-1-yl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[2-(4-chlorophenyl)phenyl]methyl]-3-ethyl-5-methoxy-2-methyl-4-piperazin-1-yl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-[[2-(4-chlorophenyl)phenyl]methyl]-3-ethyl-5-methoxy-2-methyl-4-piperazin-1-yl-indol-3-yl]acetic acid CAS Name: 2-[6-[[2-(4-chlorophenyl)phenyl]methyl]-3-ethyl-5-methoxy-2-methyl-4-(1-piperazinyl)-3-indolyl]acetic acid IUPAC Name: 2-[6-[[2-(4-chlorophenyl)phenyl]methyl]-3-ethyl-5-methoxy-2-methyl-4-piperazin-1-ylindol-3-yl]acetic acid Traditional Name: 2-[6-[2-(4-chlorophenyl)benzyl]-3-ethyl-5-methoxy-2-methyl-4-piperazino-indol-3-yl]acetic acid Formula: C31H34ClN3O3 MolecularWeight: 532.07296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=NC2=C1C(=C(C(=C2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl)OC)N5CCNCC5)C)CC(=O)O

Isomeric SMILES

CCC1(C(=NC2=C1C(=C(C(=C2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl)OC)N5CCNCC5)C)CC(=O)O

InChI

InChI=1S/C31H34ClN3O3/c1-4-31(19-27(36)37)20(2)34-26-18-23(30(38-3)29(28(26)31)35-15-13-33-14-16-35)17-22-7-5-6-8-25(22)21-9-11-24(32)12-10-21/h5-12,18,33H,4,13-17,19H2,1-3H3,(H,36,37)