[(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate

Systemtic Name: [(2S)-1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-pent-2-enoate Openeye Name: [(1S)-2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] (E)-pent-2-enoate CAS Name: (E)-2-pentenoic acid [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (E)-pent-2-enoate Traditional Name: (E)-pent-2-enoic acid [(1S)-2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-5-6-7-15(18)22-11(2)16(19)17-12-8-9-13(20-3)14(10-12)21-4/h6-11H,5H2,1-4H3,(H,17,19)/b7-6+/t11-/m0/s1