6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-7-propoxy-quinoline-3-carboxylic acid

Systemtic Name: 6-[(3-chloranyl-2-fluoranyl-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxidanylidene-7-propoxy-quinoline-3-carboxylic acid Openeye Name: 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-propoxy-quinoline-3-carboxylic acid CAS Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-propoxy-3-quinolinecarboxylic acid IUPAC Name: 6-[(3-chloro-2-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-propoxyquinoline-3-carboxylic acid Traditional Name: 6-(3-chloro-2-fluoro-benzyl)-1-(2-hydroxyethyl)-4-keto-7-propoxy-quinoline-3-carboxylic acid Formula: C22H21ClFNO5 MolecularWeight: 433.857243

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CCCOC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)CCO)CC3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C22H21ClFNO5/c1-2-8-30-19-11-18-15(21(27)16(22(28)29)12-25(18)6-7-26)10-14(19)9-13-4-3-5-17(23)20(13)24/h3-5,10-12,26H,2,6-9H2,1H3,(H,28,29)