ethyl 3-[(2-methylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(2-methylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-(o-toluoylamino)benzoic acid ethyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C28H29N3O4/c1-3-35-28(34)22-13-14-25(24(19-22)29-26(32)23-12-8-7-9-20(23)2)30-15-17-31(18-16-30)27(33)21-10-5-4-6-11-21/h4-14,19H,3,15-18H2,1-2H3,(H,29,32)