5-[[2,5-dimethoxy-3-(methoxymethyl)phenyl]methyl]-7-methoxy-2-methyl-1-oxidanylidene-3H-isoindole-4-carboxylic acid

Systemtic Name: 5-[[2,5-dimethoxy-3-(methoxymethyl)phenyl]methyl]-7-methoxy-2-methyl-1-oxidanylidene-3H-isoindole-4-carboxylic acid Openeye Name: 5-[[2,5-dimethoxy-3-(methoxymethyl)phenyl]methyl]-7-methoxy-2-methyl-1-oxo-isoindoline-4-carboxylic acid CAS Name: 5-[[2,5-dimethoxy-3-(methoxymethyl)phenyl]methyl]-7-methoxy-2-methyl-1-oxo-3H-isoindole-4-carboxylic acid IUPAC Name: 5-[[2,5-dimethoxy-3-(methoxymethyl)phenyl]methyl]-7-methoxy-2-methyl-1-oxo-3H-isoindole-4-carboxylic acid Traditional Name: 5-[2,5-dimethoxy-3-(methoxymethyl)benzyl]-1-keto-7-methoxy-2-methyl-isoindoline-4-carboxylic acid Formula: C22H25NO7 MolecularWeight: 415.4364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C(=CC(=C2C1=O)OC)CC3=CC(=CC(=C3OC)COC)OC)C(=O)O

Isomeric SMILES

CN1CC2=C(C(=CC(=C2C1=O)OC)CC3=CC(=CC(=C3OC)COC)OC)C(=O)O

InChI

InChI=1S/C22H25NO7/c1-23-10-16-18(22(25)26)12(9-17(29-4)19(16)21(23)24)6-13-7-15(28-3)8-14(11-27-2)20(13)30-5/h7-9H,6,10-11H2,1-5H3,(H,25,26)