[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)CCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25NO4/c1-14-5-6-15(2)19(13-14)22-21(24)16(3)26-20(23)12-9-17-7-10-18(25-4)11-8-17/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,22,24)/t16-/m1/s1