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

Systemtic Name: 7-[(8S)-7-azanyl-8-methyl-5-azaspiro[2.5]octan-5-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(8S)-7-amino-8-methyl-5-azaspiro[2.5]octan-5-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CN(CC12CC2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)O)N

Isomeric SMILES

C[C@@H]1C(CN(CC12CC2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)O)N

InChI

InChI=1S/C21H24ClN3O4/c1-10-14(23)8-24(9-21(10)4-5-21)18-15(26)6-12-17(16(18)22)25(11-2-3-11)7-13(19(12)27)20(28)29/h6-7,10-11,14,26H,2-5,8-9,23H2,1H3,(H,28,29)/t10-,14?/m1/s1