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

Systemtic Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxy-benzoic acid CAS Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]-2-hydroxybenzoic acid Traditional Name: 5-[1-(3,4-dimethoxyphenyl)-3-keto-6,7-dimethoxy-1,4-dihydroisoquinolin-2-yl]-2-hydroxy-benzoic acid Formula: C26H25NO8 MolecularWeight: 479.4786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO8/c1-32-20-8-5-14(9-21(20)33-2)25-17-13-23(35-4)22(34-3)10-15(17)11-24(29)27(25)16-6-7-19(28)18(12-16)26(30)31/h5-10,12-13,25,28H,11H2,1-4H3,(H,30,31)