7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-ethyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H24FN3O3 MolecularWeight: 373.421263

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H24FN3O3/c1-2-11-5-6-23(10-16(11)22)18-8-17-13(7-15(18)21)19(25)14(20(26)27)9-24(17)12-3-4-12/h7-9,11-12,16H,2-6,10,22H2,1H3,(H,26,27)/t11-,16-/m1/s1