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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

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