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

Systemtic Name: 7-(3-azanyl-4-ethyl-3-methyl-pyrrolidin-1-yl)-6-fluoranyl-1-[(1R,2S)-2-fluoranylcyclopropyl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-amino-4-ethyl-3-methyl-pyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-4-ethyl-3-methyl-1-pyrrolidinyl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-amino-4-ethyl-3-methylpyrrolidin-1-yl)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-amino-4-ethyl-3-methyl-pyrrolidino)-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H25F2N3O4 MolecularWeight: 421.437706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC1(C)N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4F)F

Isomeric SMILES

CCC1CN(CC1(C)N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)[C@@H]4C[C@@H]4F)F

InChI

InChI=1S/C21H25F2N3O4/c1-4-10-7-25(9-21(10,2)24)17-14(23)5-11-16(19(17)30-3)26(15-6-13(15)22)8-12(18(11)27)20(28)29/h5,8,10,13,15H,4,6-7,9,24H2,1-3H3,(H,28,29)/t10?,13-,15+,21?/m0/s1