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

Systemtic Name: 7-[(3S,4R)-3-azanyl-4-ethyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4R)-3-amino-4-ethyl-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4R)-3-amino-4-ethylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4R)-3-amino-4-ethyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC[C@@H]1CCN(C[C@H]1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C21H26FN3O4/c1-3-11-6-7-24(10-16(11)23)18-15(22)8-13-17(20(18)29-2)25(12-4-5-12)9-14(19(13)26)21(27)28/h8-9,11-12,16H,3-7,10,23H2,1-2H3,(H,27,28)/t11-,16-/m1/s1