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

Systemtic Name: [(2S)-1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic 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-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [(1S)-2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5/c1-13-11-17(19(27-3)12-16(13)22)23-21(26)14(2)28-20(25)10-9-18(24)15-7-5-4-6-8-15/h4-8,11-12,14H,9-10H2,1-3H3,(H,23,26)/t14-/m0/s1