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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-1-p-anisyl-quinoline-3-carboxylic acid Formula: C25H19NO6 MolecularWeight: 429.42146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C(C2=O)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H19NO6/c1-30-17-9-6-15(7-10-17)13-26-19-5-3-2-4-18(19)22(23(24(26)27)25(28)29)16-8-11-20-21(12-16)32-14-31-20/h2-12H,13-14H2,1H3,(H,28,29)