6-fluoranyl-1-[(2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[(2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[(2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[(2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[(2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H23F2N3O4 MolecularWeight: 455.453926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCNC(C3)C4=CC=CC=C4)F)C(=O)C(=CN2C5CC5F)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCNC(C3)C4=CC=CC=C4)F)C(=O)C(=CN2C5C[C@@H]5F)C(=O)O

InChI

InChI=1S/C24H23F2N3O4/c1-33-23-20-14(22(30)15(24(31)32)11-29(20)19-10-16(19)25)9-17(26)21(23)28-8-7-27-18(12-28)13-5-3-2-4-6-13/h2-6,9,11,16,18-19,27H,7-8,10,12H2,1H3,(H,31,32)/t16-,18?,19?/m0/s1