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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[(2,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(2,5-dimethoxybenzyl)-2-keto-5,6-dimethoxy-quinoline-3-carboxylic acid Formula: C28H25NO9 MolecularWeight: 519.4994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5)C(=C(C=C3)OC)OC

InChI

InChI=1S/C28H25NO9/c1-33-17-6-9-19(34-2)16(11-17)13-29-18-7-10-21(35-3)26(36-4)24(18)23(25(27(29)30)28(31)32)15-5-8-20-22(12-15)38-14-37-20/h5-12H,13-14H2,1-4H3,(H,31,32)