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

Systemtic Name: 6-[(2-carboxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(2-carboxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(2-carboxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(2-carboxyphenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(2-carboxybenzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO)C(=O)O

InChI

InChI=1S/C20H17NO6/c22-8-7-21-11-16(20(26)27)18(23)15-10-12(5-6-17(15)21)9-13-3-1-2-4-14(13)19(24)25/h1-6,10-11,22H,7-9H2,(H,24,25)(H,26,27)