[(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [(2S)-1-[(3-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [(1S)-2-(3-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [(1S)-2-(3-chloro-2-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)OC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22ClNO4/c1-13-17(21)5-4-6-18(13)22-20(24)14(2)26-19(23)12-9-15-7-10-16(25-3)11-8-15/h4-8,10-11,14H,9,12H2,1-3H3,(H,22,24)/t14-/m0/s1