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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxo-3-quinolyl]acetic acid CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxo-3-quinolinyl]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1-[(2-methoxyphenyl)methyl]-2-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-keto-1-o-anisyl-3-quinolyl]acetic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C3=CC=CC=C3C(=C(C2=O)CC(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1CN2C3=CC=CC=C3C(=C(C2=O)CC(=O)O)C4=CC5=C(C=C4)OCO5

InChI

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