methyl 3-[(2-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate

Systemtic Name: methyl 3-[(2-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-chloro-4-methyl-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(2-chloro-4-methylphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(2-chloro-4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(2-chloro-4-methyl-benzoyl)amino]benzoic acid methyl ester Formula: C27H26ClN3O4 MolecularWeight: 491.96604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN3O4/c1-18-8-10-21(22(28)16-18)25(32)29-23-17-20(27(34)35-2)9-11-24(23)30-12-14-31(15-13-30)26(33)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,29,32)