2,6-dimethyl-5-propanoyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-5-propanoyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-propanoyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-5-(1-oxopropyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-5-propanoyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2,6-dimethyl-5-propionyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C18H18F3NO3 MolecularWeight: 353.33563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)C

Isomeric SMILES

CCC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)C

InChI

InChI=1S/C18H18F3NO3/c1-4-13(23)14-9(2)22-10(3)15(17(24)25)16(14)11-7-5-6-8-12(11)18(19,20)21/h5-8,16,22H,4H2,1-3H3,(H,24,25)