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

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-(m-tolyl)piperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[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(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=CC(=C3)C(=O)O

InChI

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