7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(4-fluorophenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-6-fluoranyl-1-(4-fluorophenyl)-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-6-fluoro-1-(4-fluorophenyl)-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(C3)N)F)C(=O)C(=CN2C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C21H19F2N3O4/c1-30-20-17-14(8-16(23)18(20)25-7-6-12(24)9-25)19(27)15(21(28)29)10-26(17)13-4-2-11(22)3-5-13/h2-5,8,10,12H,6-7,9,24H2,1H3,(H,28,29)