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

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO3 MolecularWeight: 359.84658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO3/c1-13(16-8-5-4-6-9-16)12-19(23)25-15(3)20(24)22-18-11-7-10-17(21)14(18)2/h4-11,13,15H,12H2,1-3H3,(H,22,24)/t13-,15-/m0/s1