ethyl 3-methyl-2-oxidanylidene-4-(piperidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-2-oxidanylidene-4-(piperidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-2-oxo-4-(1-piperidylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-2-oxo-4-(1-piperidinylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-oxo-4-(piperidin-1-ylmethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-(piperidinomethyl)-6-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H26F3N3O3 MolecularWeight: 425.44465

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C(F)(F)F)C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C(F)(F)F)C)CN3CCCCC3

InChI

InChI=1S/C21H26F3N3O3/c1-3-30-19(28)17-16(13-27-11-7-4-8-12-27)26(2)20(29)25-18(17)14-9-5-6-10-15(14)21(22,23)24/h5-6,9-10,18H,3-4,7-8,11-13H2,1-2H3,(H,25,29)