tert-butyl 1-(2-fluorophenyl)-5-oxidanylidene-4-(quinolin-3-ylcarbonylamino)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 1-(2-fluorophenyl)-5-oxidanylidene-4-(quinolin-3-ylcarbonylamino)pyrrolidine-3-carboxylate Openeye Name: tert-butyl 1-(2-fluorophenyl)-5-oxo-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylate CAS Name: 1-(2-fluorophenyl)-5-oxo-4-[[oxo(3-quinolinyl)methyl]amino]-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-fluorophenyl)-5-oxo-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylate Traditional Name: 1-(2-fluorophenyl)-5-keto-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4F

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(C(=O)C1NC(=O)C2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4F

InChI

InChI=1S/C25H24FN3O4/c1-25(2,3)33-24(32)17-14-29(20-11-7-5-9-18(20)26)23(31)21(17)28-22(30)16-12-15-8-4-6-10-19(15)27-13-16/h4-13,17,21H,14H2,1-3H3,(H,28,30)