[(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-methylphenoxy)propanoate

Systemtic Name: [(2S)-1-[(5-chloranyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3-methylphenoxy)propanoate Openeye Name: [(1S)-2-(5-chloro-2-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid [(1S)-2-(5-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=CC(=CC=C1)OCCC(=O)OC(C)C(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C20H22ClNO4/c1-13-5-4-6-17(11-13)25-10-9-19(23)26-15(3)20(24)22-18-12-16(21)8-7-14(18)2/h4-8,11-12,15H,9-10H2,1-3H3,(H,22,24)/t15-/m0/s1