tert-butyl 6-methyl-2-oxidanylidene-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate

Systemtic Name: tert-butyl 6-methyl-2-oxidanylidene-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate Openeye Name: tert-butyl 1-allyl-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate CAS Name: 6-methyl-2-oxo-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methyl-2-oxo-1-prop-2-enyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate Traditional Name: 1-allyl-2-keto-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylic acid tert-butyl ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1CC=C)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(CC(=O)N1CC=C)C2=CC=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C

InChI

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