ethyl 1-cyclopropyl-6-fluoranyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-4-oxidanylidene-quinoline-3-carboxylate hydrochloride

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-4-oxidanylidene-quinoline-3-carboxylate hydrochloride Openeye Name: ethyl 1-cyclopropyl-6-fluoro-7-[2-(hydroxymethyl)-6-methyl-4-pyridyl]-4-oxo-quinoline-3-carboxylate hydrochloride CAS Name: 1-cyclopropyl-6-fluoro-7-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-7-[2-(hydroxymethyl)-6-methylpyridin-4-yl]-4-oxoquinoline-3-carboxylate hydrochloride Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(2-methyl-6-methylol-4-pyridyl)quinoline-3-carboxylic acid ethyl ester hydrochloride Formula: C22H22ClFN2O4 MolecularWeight: 432.872483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=CC(=NC(=C3)CO)C)C4CC4.Cl

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C3=CC(=NC(=C3)CO)C)C4CC4.Cl

InChI

InChI=1S/C22H21FN2O4.ClH/c1-3-29-22(28)18-10-25(15-4-5-15)20-9-16(19(23)8-17(20)21(18)27)13-6-12(2)24-14(7-13)11-26;/h6-10,15,26H,3-5,11H2,1-2H3;1H