ethyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoic acid ethyl ester Formula: C28H28ClN3O4 MolecularWeight: 505.99262

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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(=C(C=C4)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O4/c1-3-36-28(35)22-11-12-25(24(18-22)30-26(33)21-10-9-19(2)23(29)17-21)31-13-15-32(16-14-31)27(34)20-7-5-4-6-8-20/h4-12,17-18H,3,13-16H2,1-2H3,(H,30,33)