[(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-methylphenoxy)butanoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-15-7-5-8-18(13-15)28-12-6-9-21(24)29-16(2)22(25)23-17-10-11-19(26-3)20(14-17)27-4/h5,7-8,10-11,13-14,16H,6,9,12H2,1-4H3,(H,23,25)/t16-/m1/s1