phenacyl (2R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: phenacyl (2R)-2-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: phenacyl (2R)-2-(3-chloro-4-methyl-anilino)-4-oxo-4-phenyl-butanoate CAS Name: (2R)-2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-2-(3-chloro-4-methylanilino)-4-oxo-4-phenylbutanoate Traditional Name: (2R)-2-(3-chloro-4-methyl-anilino)-4-keto-4-phenyl-butyric acid phenacyl ester Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H](CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C25H22ClNO4/c1-17-12-13-20(14-21(17)26)27-22(15-23(28)18-8-4-2-5-9-18)25(30)31-16-24(29)19-10-6-3-7-11-19/h2-14,22,27H,15-16H2,1H3/t22-/m1/s1