5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxy-benzoic acid CAS Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxybenzoic acid Traditional Name: 2-hydroxy-5-[3-keto-6,7-dimethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-2-yl]benzoic acid Formula: C25H23NO7 MolecularWeight: 449.45262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)O)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC(=C(C=C4)O)C(=O)O)OC)OC

InChI

InChI=1S/C25H23NO7/c1-31-17-7-4-14(5-8-17)24-18-13-22(33-3)21(32-2)10-15(18)11-23(28)26(24)16-6-9-20(27)19(12-16)25(29)30/h4-10,12-13,24,27H,11H2,1-3H3,(H,29,30)