[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-ethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] 4-(2-ethylanilino)-4-oxo-butanoate CAS Name: 4-(2-ethylanilino)-4-oxobutanoic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(2-ethylanilino)-4-oxobutanoate Traditional Name: 4-(2-ethylanilino)-4-keto-butyric acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-3-15-6-4-5-7-18(15)24-19(25)10-11-21(27)28-13-20(26)23-16-9-8-14(2)17(22)12-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,26)(H,24,25)