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

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-14-5-8-17(9-6-14)22-21(24)15(2)27-20(23)10-7-16-11-18(25-3)13-19(12-16)26-4/h5-6,8-9,11-13,15H,7,10H2,1-4H3,(H,22,24)/t15-/m1/s1