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

Systemtic Name: ethyl 3-[(3-chloranyl-4-methyl-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoate CAS Name: 3-[[(3-chloro-4-methylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3-chloro-4-methylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3-chloro-4-methyl-benzoyl)amino]benzoic acid ethyl ester Formula: C28H30ClN3O3 MolecularWeight: 492.0091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C28H30ClN3O3/c1-3-35-28(34)23-11-12-26(25(18-23)30-27(33)22-10-9-20(2)24(29)17-22)32-15-13-31(14-16-32)19-21-7-5-4-6-8-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,30,33)