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

Systemtic Name: 7-(3-ethylpiperazin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-ethylpiperazin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-ethyl-1-piperazinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-ethylpiperazin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-ethylpiperazino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C20H23F2N3O4 MolecularWeight: 407.411126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4F)F

Isomeric SMILES

CCC1CN(CCN1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F

InChI

InChI=1S/C20H23F2N3O4/c1-3-10-8-24(5-4-23-10)17-14(22)6-11-16(19(17)29-2)25(15-7-13(15)21)9-12(18(11)26)20(27)28/h6,9-10,13,15,23H,3-5,7-8H2,1-2H3,(H,27,28)/t10?,13-,15+/m0/s1