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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)C(=O)O

InChI

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