2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(4-chlorobenzyl)piperazino]benzoic acid Formula: C18H19ClN2O2 MolecularWeight: 330.80866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)O

InChI

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