6-[(2-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-[(2-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-ethoxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-ethoxybenzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CCOC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C21H21NO5/c1-2-27-19-6-4-3-5-15(19)11-14-7-8-18-16(12-14)20(24)17(21(25)26)13-22(18)9-10-23/h3-8,12-13,23H,2,9-11H2,1H3,(H,25,26)