7-[(8S)-7-azanyl-8-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-5-azaspiro[2.5]octan-5-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CN(CC12CC2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4/c1-2-14-15(24)9-25(10-22(14)5-6-22)19-16(27)7-12-18(17(19)23)26(11-3-4-11)8-13(20(12)28)21(29)30/h7-8,11,14-15,27H,2-6,9-10,24H2,1H3,(H,29,30)/t14-,15?/m1/s1