7-[(3S,4S,5R)-3-azanyl-5-methyl-4-propan-2-yl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3S,4S,5R)-3-azanyl-5-methyl-4-propan-2-yl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-yl-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-ylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H30FN3O4 MolecularWeight: 431.500403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1C(C)C)N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O4/c1-11(2)18-12(3)8-26(10-17(18)25)20-16(24)7-14-19(22(20)31-4)27(13-5-6-13)9-15(21(14)28)23(29)30/h7,9,11-13,17-18H,5-6,8,10,25H2,1-4H3,(H,29,30)/t12-,17+,18-/m0/s1