ethyl 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate

Systemtic Name: ethyl 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate Openeye Name: ethyl 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate CAS Name: 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)-6-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)quinazoline-6-carboxylate Traditional Name: 4-[2-(4-methoxyphenyl)ethylamino]-2-(trifluoromethyl)quinazoline-6-carboxylic acid ethyl ester Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCC3=CC=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N=C2NCCC3=CC=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3/c1-3-30-19(28)14-6-9-17-16(12-14)18(27-20(26-17)21(22,23)24)25-11-10-13-4-7-15(29-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,25,26,27)