(4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H20F3N3O4 MolecularWeight: 459.41781

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H20F3N3O4/c24-23(25,26)16-7-5-14(6-8-16)21(31)29-11-9-15(10-12-29)22(32)33-13-19-27-18-4-2-1-3-17(18)20(30)28-19/h1-8,15H,9-13H2,(H,27,28,30)