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

Systemtic Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(C4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H26ClN3O2/c28-21-12-10-20(11-13-21)25(19-6-2-1-3-7-19)30-14-16-31(17-15-30)26(27(32)33)23-18-29-24-9-5-4-8-22(23)24/h1-13,18,25-26,29H,14-17H2,(H,32,33)