[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(3-methylanilino)-2-oxo-ethyl] 5-(3-chloro-4-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(3-chloro-4-methylanilino)-5-oxopentanoic acid [2-(3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylanilino)-2-oxoethyl] 5-(3-chloro-4-methylanilino)-5-oxopentanoate Traditional Name: 5-(3-chloro-4-methyl-anilino)-5-keto-valeric acid [2-keto-2-(m-toluidino)ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-14-5-3-6-16(11-14)24-20(26)13-28-21(27)8-4-7-19(25)23-17-10-9-15(2)18(22)12-17/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,23,25)(H,24,26)