2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-4-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-4-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-isoindoline-4-carboxylic acid CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylic acid Traditional Name: 3-keto-2-veratryl-isoindoline-4-carboxylic acid Formula: C18H17NO5 MolecularWeight: 327.33128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC3=CC=CC(=C3C2=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC3=CC=CC(=C3C2=O)C(=O)O)OC

InChI

InChI=1S/C18H17NO5/c1-23-14-7-6-11(8-15(14)24-2)9-19-10-12-4-3-5-13(18(21)22)16(12)17(19)20/h3-8H,9-10H2,1-2H3,(H,21,22)