[(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)benzoate Openeye Name: [(1S)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzoate CAS Name: 3-(methoxymethyl)benzoic acid [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate Traditional Name: 3-(methoxymethyl)benzoic acid [(1S)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC=C2)COC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2=CC(=CC=C2)COC

InChI

InChI=1S/C19H17ClN2O4/c1-12(18(23)22-16-7-6-15(10-21)17(20)9-16)26-19(24)14-5-3-4-13(8-14)11-25-2/h3-9,12H,11H2,1-2H3,(H,22,23)/t12-/m0/s1