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

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)OC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5/c1-16(22(25)23-14-13-17-7-5-4-6-8-17)28-21(24)12-10-18-9-11-19(26-2)20(15-18)27-3/h4-9,11,15-16H,10,12-14H2,1-3H3,(H,23,25)/t16-/m1/s1