7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidyl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-ethyl-piperidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H23F2N3O3 MolecularWeight: 391.411726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C20H23F2N3O3/c1-2-10-5-6-24(9-15(10)23)18-14(21)7-12-17(16(18)22)25(11-3-4-11)8-13(19(12)26)20(27)28/h7-8,10-11,15H,2-6,9,23H2,1H3,(H,27,28)/t10-,15-/m1/s1