2-[3-(hydroxymethyl)-4-oxidanylidene-6,7-bis(phenylmethoxy)quinolin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(hydroxymethyl)-4-oxidanylidene-6,7-bis(phenylmethoxy)quinolin-1-yl]ethanoic acid Openeye Name: 2-[6,7-dibenzyloxy-3-(hydroxymethyl)-4-oxo-1-quinolyl]acetic acid CAS Name: 2-[3-(hydroxymethyl)-4-oxo-6,7-bis(phenylmethoxy)-1-quinolinyl]acetic acid IUPAC Name: 2-[3-(hydroxymethyl)-4-oxo-6,7-bis(phenylmethoxy)quinolin-1-yl]acetic acid Traditional Name: 2-(6,7-dibenzoxy-4-keto-3-methylol-1-quinolyl)acetic acid Formula: C26H23NO6 MolecularWeight: 445.46392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=O)C(=CN3CC(=O)O)CO)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=O)C(=CN3CC(=O)O)CO)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO6/c28-15-20-13-27(14-25(29)30)22-12-24(33-17-19-9-5-2-6-10-19)23(11-21(22)26(20)31)32-16-18-7-3-1-4-8-18/h1-13,28H,14-17H2,(H,29,30)