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

Systemtic Name: 7-[(3S,4S,5R)-3-azanyl-5-methyl-4-propan-2-yl-piperidin-1-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-1-piperidyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-yl-1-piperidinyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3S,4S,5R)-3-amino-5-methyl-4-propan-2-ylpiperidin-1-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3S,4S,5R)-3-amino-4-isopropyl-5-methyl-piperidino]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1C(C)C)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O

Isomeric SMILES

C[C@H]1CN(C[C@H]([C@H]1C(C)C)N)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O

InChI

InChI=1S/C22H28ClN3O4/c1-10(2)17-11(3)7-25(9-15(17)24)20-16(27)6-13-19(18(20)23)26(12-4-5-12)8-14(21(13)28)22(29)30/h6,8,10-12,15,17,27H,4-5,7,9,24H2,1-3H3,(H,29,30)/t11-,15+,17-/m0/s1