2-methylbutan-2-yl 5-cyano-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methylbutan-2-yl 5-cyano-4-[4-fluoranyl-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 1,1-dimethylpropyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid tert-amyl ester Formula: C23H26F4N2O2 MolecularWeight: 438.458353

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)OC(C)(C)CC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)C(F)(F)F)C(=O)OC(C)(C)CC

InChI

InChI=1S/C23H26F4N2O2/c1-6-8-18-20(21(30)31-22(4,5)7-2)19(16(12-28)13(3)29-18)15-10-9-14(24)11-17(15)23(25,26)27/h9-11,19,29H,6-8H2,1-5H3