7-[(8S)-7-azanyl-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(8S)-7-azanyl-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN(CC12CC2)C3=C(C=C4C(=C3C)N(C=C(C4=O)C(=O)O)C5CC5)F)N

Isomeric SMILES

C[C@@H]1C(CN(CC12CC2)C3=C(C=C4C(=C3C)N(C=C(C4=O)C(=O)O)C5CC5)F)N

InChI

InChI=1S/C22H26FN3O3/c1-11-18-14(20(27)15(21(28)29)8-26(18)13-3-4-13)7-16(23)19(11)25-9-17(24)12(2)22(10-25)5-6-22/h7-8,12-13,17H,3-6,9-10,24H2,1-2H3,(H,28,29)/t12-,17?/m1/s1