5-azanyl-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; tert-butyl carbamate

Systemtic Name: 5-azanyl-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid; tert-butyl carbamate Openeye Name: 5-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid; tert-butyl carbamate CAS Name: 5-amino-1-cyclopropyl-7-(3-ethyl-1-pyrrolidinyl)-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid; carbamic acid tert-butyl ester IUPAC Name: 5-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid; tert-butyl carbamate Traditional Name: 5-amino-1-cyclopropyl-7-(3-ethylpyrrolidino)-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid; carbamic acid tert-butyl ester Formula: C25H35FN4O6 MolecularWeight: 506.567003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC1CCN(C1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC.CC(C)(C)OC(=O)N

InChI

InChI=1S/C20H24FN3O4.C5H11NO2/c1-3-10-6-7-23(8-10)17-14(21)15(22)13-16(19(17)28-2)24(11-4-5-11)9-12(18(13)25)20(26)27;1-5(2,3)8-4(6)7/h9-11H,3-8,22H2,1-2H3,(H,26,27);1-3H3,(H2,6,7)