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

Systemtic Name: 4-[4-(3-methylphenyl)carbonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(3-methylbenzoyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 4-(4-m-toluoylpiperazine-1-carbonyl)benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-14-3-2-4-17(13-14)19(24)22-11-9-21(10-12-22)18(23)15-5-7-16(8-6-15)20(25)26/h2-8,13H,9-12H2,1H3,(H,25,26)