[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C23H29NO5/c1-15(2)18-8-6-7-9-19(18)24-23(26)16(3)29-22(25)13-11-17-10-12-20(27-4)21(14-17)28-5/h6-10,12,14-16H,11,13H2,1-5H3,(H,24,26)/t16-/m0/s1