(1-oxidanylidene-1-phenyl-propan-2-yl) 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 5-[(3-chloranyl-4-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 5-(3-chloro-4-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(3-chloro-4-methylanilino)-5-oxopentanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 5-(3-chloro-4-methylanilino)-5-oxopentanoate Traditional Name: 5-(3-chloro-4-methyl-anilino)-5-keto-valeric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO4/c1-14-11-12-17(13-18(14)22)23-19(24)9-6-10-20(25)27-15(2)21(26)16-7-4-3-5-8-16/h3-5,7-8,11-13,15H,6,9-10H2,1-2H3,(H,23,24)