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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Cl

InChI

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