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

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC(=O)OCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C20H21ClN2O4/c1-13-5-3-6-15(11-13)22-18(24)9-10-20(26)27-12-19(25)23-17-8-4-7-16(21)14(17)2/h3-8,11H,9-10,12H2,1-2H3,(H,22,24)(H,23,25)