[(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-phenoxybutanoate Openeye Name: [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)OC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C21H24ClNO5/c1-14-12-18(19(26-3)13-17(14)22)23-21(25)15(2)28-20(24)10-7-11-27-16-8-5-4-6-9-16/h4-6,8-9,12-13,15H,7,10-11H2,1-3H3,(H,23,25)/t15-/m0/s1