3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-(3-chlorophenyl)piperazino]methyl]benzoic acid Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2/c19-16-5-2-6-17(12-16)21-9-7-20(8-10-21)13-14-3-1-4-15(11-14)18(22)23/h1-6,11-12H,7-10,13H2,(H,22,23)