(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H22F3NO5 MolecularWeight: 473.44109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H22F3NO5/c1-15-2-7-20-18(13-22(30)34-21(20)12-15)14-33-24(32)17-8-10-29(11-9-17)23(31)16-3-5-19(6-4-16)25(26,27)28/h2-7,12-13,17H,8-11,14H2,1H3