1-cyclopropyl-6-fluoranyl-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-7-[(4-methoxyphenyl)methylamino]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methylol-7-(p-anisylamino)quinoline-3-carboxylic acid Formula: C22H21FN2O5 MolecularWeight: 412.410943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)CO)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)CO)F

InChI

InChI=1S/C22H21FN2O5/c1-30-14-6-2-12(3-7-14)9-24-17-8-18-19(16(11-26)20(17)23)21(27)15(22(28)29)10-25(18)13-4-5-13/h2-3,6-8,10,13,24,26H,4-5,9,11H2,1H3,(H,28,29)