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

Systemtic Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(3-chlorobenzyl)piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Cl)C(C3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C21H22ClN3O2/c22-16-5-3-4-15(12-16)14-24-8-10-25(11-9-24)20(21(26)27)18-13-23-19-7-2-1-6-17(18)19/h1-7,12-13,20,23H,8-11,14H2,(H,26,27)