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

Systemtic Name: 6-[(3-chloranyl-2-methyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-methyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-methylphenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-methyl-benzyl)-1-(2-hydroxyethyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

Isomeric SMILES

CC1=C(C=CC=C1Cl)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)O)CCO

InChI

InChI=1S/C20H18ClNO4/c1-12-14(3-2-4-17(12)21)9-13-5-6-18-15(10-13)19(24)16(20(25)26)11-22(18)7-8-23/h2-6,10-11,23H,7-9H2,1H3,(H,25,26)