3-[(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate

Systemtic Name: 3-[(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxidanylidene-1,4-dihydroisoquinolin-2-yl]benzoate Openeye Name: 3-[(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate CAS Name: 3-[(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate IUPAC Name: 3-[(1R)-1-(4-ethoxyphenyl)-6,7-dimethoxy-3-oxo-1,4-dihydroisoquinolin-2-yl]benzoate Traditional Name: 3-[(1R)-3-keto-6,7-dimethoxy-1-p-phenetyl-1,4-dihydroisoquinolin-2-yl]benzoate Formula: C26H24NO6- MolecularWeight: 446.47186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C(=O)[O-])OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2C3=CC(=C(C=C3CC(=O)N2C4=CC=CC(=C4)C(=O)[O-])OC)OC

InChI

InChI=1S/C26H25NO6/c1-4-33-20-10-8-16(9-11-20)25-21-15-23(32-3)22(31-2)13-18(21)14-24(28)27(25)19-7-5-6-17(12-19)26(29)30/h5-13,15,25H,4,14H2,1-3H3,(H,29,30)/p-1/t25-/m1/s1