[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5/c1-14-12-18(23)9-10-20(14)28-11-5-8-21(26)29-16(3)22(27)24-19-7-4-6-17(13-19)15(2)25/h4,6-7,9-10,12-13,16H,5,8,11H2,1-3H3,(H,24,27)/t16-/m0/s1