(2S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(3,4-dimethoxyphenyl)ethanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3,4-dimethoxyphenyl)acetyl]-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-homoveratroyl-5-keto-proline Formula: C15H17NO6 MolecularWeight: 307.29858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2C(CCC2=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2[C@@H](CCC2=O)C(=O)O)OC

InChI

InChI=1S/C15H17NO6/c1-21-11-5-3-9(7-12(11)22-2)8-14(18)16-10(15(19)20)4-6-13(16)17/h3,5,7,10H,4,6,8H2,1-2H3,(H,19,20)/t10-/m0/s1