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

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(o-tolyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2-methylphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(o-tolyl)piperazine-1-carbonyl]benzoic acid Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3/c1-14-5-2-3-8-17(14)20-9-11-21(12-10-20)18(22)15-6-4-7-16(13-15)19(23)24/h2-8,13H,9-12H2,1H3,(H,23,24)