4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5,6-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-5,6-dimethoxy-1-o-anisyl-quinoline-3-carboxylic acid Formula: C27H23NO8 MolecularWeight: 489.47342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC=CC=C5OC)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)N(C(=O)C(=C2C3=CC4=C(C=C3)OCO4)C(=O)O)CC5=CC=CC=C5OC)OC

InChI

InChI=1S/C27H23NO8/c1-32-18-7-5-4-6-16(18)13-28-17-9-11-20(33-2)25(34-3)23(17)22(24(26(28)29)27(30)31)15-8-10-19-21(12-15)36-14-35-19/h4-12H,13-14H2,1-3H3,(H,30,31)