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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-4-oxo-quinoline-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 4-keto-1-p-anisyl-3-piperonyl-quinaldic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=C2C(=O)O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C(=C2C(=O)O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO6/c1-31-18-9-6-16(7-10-18)14-27-21-5-3-2-4-19(21)25(28)20(24(27)26(29)30)12-17-8-11-22-23(13-17)33-15-32-22/h2-11,13H,12,14-15H2,1H3,(H,29,30)