2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-diethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C18H18F3NO4 MolecularWeight: 369.33503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H18F3NO4/c1-3-11-14(16(23)24)13(15(17(25)26)12(4-2)22-11)9-7-5-6-8-10(9)18(19,20)21/h5-8,13,22H,3-4H2,1-2H3,(H,23,24)(H,25,26)