(3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-3-(1,3-benzodioxol-5-yl)-1-keto-6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C26H23NO8 MolecularWeight: 477.46272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@@H]([C@@H](C3=CC(=C(C=C3C2=O)OC)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H23NO8/c1-31-16-7-5-15(6-8-16)27-24(14-4-9-19-22(10-14)35-13-34-19)23(26(29)30)17-11-20(32-2)21(33-3)12-18(17)25(27)28/h4-12,23-24H,13H2,1-3H3,(H,29,30)/t23-,24-/m1/s1