7-[3-[(tert-butylamino)methyl]-3-oxidanyl-pyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[(tert-butylamino)methyl]-3-oxidanyl-pyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[(tert-butylamino)methyl]-3-hydroxy-pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(tert-butylamino)methyl]-3-hydroxy-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(tert-butylamino)methyl]-3-hydroxypyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[(tert-butylamino)methyl]-3-hydroxy-pyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27ClFN3O4 MolecularWeight: 451.918883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1(CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)O

Isomeric SMILES

CC(C)(C)NCC1(CCN(C1)C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)F)O

InChI

InChI=1S/C22H27ClFN3O4/c1-21(2,3)25-10-22(31)6-7-26(11-22)18-15(24)8-13-17(16(18)23)27(12-4-5-12)9-14(19(13)28)20(29)30/h8-9,12,25,31H,4-7,10-11H2,1-3H3,(H,29,30)