ethyl 2-[(4-butyl-2-methyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-butyl-2-methyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-butyl-2-methyl-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(4-butyl-2-methylanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-butyl-2-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-butyl-2-methyl-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22F3N3O2 MolecularWeight: 381.39209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC2=NC=C(C(=N2)C(F)(F)F)C(=O)OCC)C

InChI

InChI=1S/C19H22F3N3O2/c1-4-6-7-13-8-9-15(12(3)10-13)24-18-23-11-14(17(26)27-5-2)16(25-18)19(20,21)22/h8-11H,4-7H2,1-3H3,(H,23,24,25)