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

Systemtic Name: 6-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-ethylbenzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CCC1=CC=CC=C1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C21H21NO4/c1-2-15-5-3-4-6-16(15)11-14-7-8-19-17(12-14)20(24)18(21(25)26)13-22(19)9-10-23/h3-8,12-13,23H,2,9-11H2,1H3,(H,25,26)