tert-butyl carbamate; 1-cyclopropyl-3-ethyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid

Systemtic Name: tert-butyl carbamate; 1-cyclopropyl-3-ethyl-6-fluoranyl-4-oxidanylidene-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Openeye Name: tert-butyl carbamate; 1-cyclopropyl-3-ethyl-6-fluoro-4-oxo-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid CAS Name: carbamic acid tert-butyl ester; 1-cyclopropyl-3-ethyl-6-fluoro-4-oxo-2-(1-pyrrolidinyl)-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid IUPAC Name: tert-butyl carbamate; 1-cyclopropyl-3-ethyl-6-fluoro-4-oxo-2-pyrrolidin-1-yl-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Traditional Name: carbamic acid tert-butyl ester; 1-cyclopropyl-3-ethyl-6-fluoro-4-keto-2-pyrrolidino-8-(trifluoromethyl)-2H-quinoline-3-carboxylic acid Formula: C25H33F4N3O5 MolecularWeight: 531.540233

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C2=C(C=C(C=C2C1=O)F)C(F)(F)F)C3CC3)N4CCCC4)C(=O)O.CC(C)(C)OC(=O)N

Isomeric SMILES

CCC1(C(N(C2=C(C=C(C=C2C1=O)F)C(F)(F)F)C3CC3)N4CCCC4)C(=O)O.CC(C)(C)OC(=O)N

InChI

InChI=1S/C20H22F4N2O3.C5H11NO2/c1-2-19(18(28)29)16(27)13-9-11(21)10-14(20(22,23)24)15(13)26(12-5-6-12)17(19)25-7-3-4-8-25;1-5(2,3)8-4(6)7/h9-10,12,17H,2-8H2,1H3,(H,28,29);1-3H3,(H2,6,7)