2-(hydroxymethyl)-6,7-bis(phenylmethoxy)quinoline-4-carboxylic acid

Systemtic Name: 2-(hydroxymethyl)-6,7-bis(phenylmethoxy)quinoline-4-carboxylic acid Openeye Name: 6,7-dibenzyloxy-2-(hydroxymethyl)quinoline-4-carboxylic acid CAS Name: 2-(hydroxymethyl)-6,7-bis(phenylmethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-(hydroxymethyl)-6,7-bis(phenylmethoxy)quinoline-4-carboxylic acid Traditional Name: 6,7-dibenzoxy-2-methylol-cinchoninic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=CC(=N3)CO)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C(=CC(=N3)CO)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO5/c27-14-19-11-21(25(28)29)20-12-23(30-15-17-7-3-1-4-8-17)24(13-22(20)26-19)31-16-18-9-5-2-6-10-18/h1-13,27H,14-16H2,(H,28,29)