5-methoxycarbonyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate IUPAC Name: 5-methoxycarbonyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-carbomethoxy-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Formula: C17H15F3NO4- MolecularWeight: 354.30051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C17H16F3NO4/c1-8-12(15(22)23)14(13(9(2)21-8)16(24)25-3)10-6-4-5-7-11(10)17(18,19)20/h4-7,14,21H,1-3H3,(H,22,23)/p-1