2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-(3-methylbenzyl)piperazino]benzoic acid Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H22N2O2/c1-15-5-4-6-16(13-15)14-20-9-11-21(12-10-20)18-8-3-2-7-17(18)19(22)23/h2-8,13H,9-12,14H2,1H3,(H,22,23)