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

Systemtic Name: 2-[4-(3-methylphenyl)carbonylpiperazin-1-yl]benzoic acid Openeye Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]benzoic acid CAS Name: 2-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-(3-methylbenzoyl)piperazin-1-yl]benzoic acid Traditional Name: 2-(4-m-toluoylpiperazino)benzoic acid Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C(=O)O

InChI

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