tert-butyl 2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylate

Systemtic Name: tert-butyl 2-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylate Openeye Name: tert-butyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylate CAS Name: 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-oxo-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylate Traditional Name: 2-keto-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinoline-1-carboxylic acid tert-butyl ester Formula: C21H20F3NO3 MolecularWeight: 391.38361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)CCC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)CCC2=C1C=CC(=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO3/c1-20(2,3)28-19(27)25-17-10-6-14(12-15(17)7-11-18(25)26)13-4-8-16(9-5-13)21(22,23)24/h4-6,8-10,12H,7,11H2,1-3H3