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

Systemtic Name: methyl 3-[(3-chloranyl-4-ethoxy-phenyl)carbonylamino]-4-[4-(phenylcarbonyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoate CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-[[(3-chloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzoylpiperazin-1-yl)-3-[(3-chloro-4-ethoxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzoylpiperazino)-3-[(3-chloro-4-ethoxy-benzoyl)amino]benzoic acid methyl ester Formula: C28H28ClN3O5 MolecularWeight: 521.99202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=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/C28H28ClN3O5/c1-3-37-25-12-10-20(17-22(25)29)26(33)30-23-18-21(28(35)36-2)9-11-24(23)31-13-15-32(16-14-31)27(34)19-7-5-4-6-8-19/h4-12,17-18H,3,13-16H2,1-2H3,(H,30,33)