methyl 3-[(3,4-dimethylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(3,4-dimethylphenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3,4-dimethylphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3,4-dimethylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3,4-dimethylbenzoyl)amino]benzoic acid methyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

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