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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1S)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-13(2)15-6-9-17(10-7-15)22-20(23)14(3)27-21(24)16-8-11-18(25-4)19(12-16)26-5/h6-14H,1-5H3,(H,22,23)/t14-/m0/s1