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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=CC=C3C(=O)O

InChI

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