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

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-1-(4-ethanoylphenyl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetylphenyl)-7-(3-aminopyrrolidin-1-yl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetylphenyl)-7-(3-amino-1-pyrrolidinyl)-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetylphenyl)-7-(3-aminopyrrolidin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetylphenyl)-7-(3-aminopyrrolidino)-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCC(C4)N)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)OC)N4CCC(C4)N)F)C(=O)O

InChI

InChI=1S/C23H22FN3O5/c1-12(28)13-3-5-15(6-4-13)27-11-17(23(30)31)21(29)16-9-18(24)20(22(32-2)19(16)27)26-8-7-14(25)10-26/h3-6,9,11,14H,7-8,10,25H2,1-2H3,(H,30,31)