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

Systemtic Name: [(2R)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate Openeye Name: [(1R)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(1R)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(=O)O[C@H](C)C(=O)NC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO5/c1-14(16-8-6-5-7-9-16)12-20(23)27-15(2)21(24)22-17-10-11-18(25-3)19(13-17)26-4/h5-11,13-15H,12H2,1-4H3,(H,22,24)/t14-,15-/m1/s1