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

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)C[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H24ClNO4/c1-13(16-8-6-5-7-9-16)11-20(24)27-15(3)21(25)23-18-10-14(2)17(22)12-19(18)26-4/h5-10,12-13,15H,11H2,1-4H3,(H,23,25)/t13-,15-/m0/s1