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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

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