dimethyl 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate CAS Name: 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-cyclopentyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)C3CCCC3

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)C3CCCC3

InChI

InChI=1S/C21H22F3NO4/c1-28-19(26)15-11-25(13-7-3-4-8-13)12-16(20(27)29-2)18(15)14-9-5-6-10-17(14)21(22,23)24/h5-6,9-13,18H,3-4,7-8H2,1-2H3