ethyl 2-[(4-butylphenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(4-butylphenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-(4-butylanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20F3N3O2 MolecularWeight: 367.36551

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F3N3O2/c1-3-5-6-12-7-9-13(10-8-12)23-17-22-11-14(16(25)26-4-2)15(24-17)18(19,20)21/h7-11H,3-6H2,1-2H3,(H,22,23,24)