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

Systemtic Name: 3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]carbonylbenzoate Openeye Name: 3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzoate IUPAC Name: 3-[4-(2-methylbenzoyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-(4-o-toluoylpiperazine-1-carbonyl)benzoate Formula: C20H19N2O4- MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)C(=O)[O-]

InChI

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