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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 1-[4-(trifluoromethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: (7-methoxy-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-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)benzoyl]isonipecotic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C25H22F3NO6 MolecularWeight: 489.44049

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C25H22F3NO6/c1-33-19-6-7-20-17(12-22(30)35-21(20)13-19)14-34-24(32)16-8-10-29(11-9-16)23(31)15-2-4-18(5-3-15)25(26,27)28/h2-7,12-13,16H,8-11,14H2,1H3