cycloheptyl 6-methyl-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: cycloheptyl 6-methyl-2-oxidanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: cycloheptyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylic acid cycloheptyl ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C(C(CC(=O)N1)C2=CC=CC=C2C(F)(F)F)C(=O)OC3CCCCCC3

InChI

InChI=1S/C21H24F3NO3/c1-13-19(20(27)28-14-8-4-2-3-5-9-14)16(12-18(26)25-13)15-10-6-7-11-17(15)21(22,23)24/h6-7,10-11,14,16H,2-5,8-9,12H2,1H3,(H,25,26)