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

Systemtic Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C28H28ClN3O3 MolecularWeight: 489.99322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN3O3/c1-35-22-11-12-25-23(17-22)24(18-30-25)27(28(33)34)32-15-13-31(14-16-32)26(19-5-3-2-4-6-19)20-7-9-21(29)10-8-20/h2-12,17-18,26-27,30H,13-16H2,1H3,(H,33,34)