(phenylmethyl) 5-methyl-7-[4-(trifluoromethyloxy)phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: (phenylmethyl) 5-methyl-7-[4-(trifluoromethyloxy)phenyl]-1,7-dihydro-[1,2,3,4]tetrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: benzyl 5-methyl-7-[4-(trifluoromethoxy)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-7-[4-(trifluoromethoxy)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-7-[4-(trifluoromethoxy)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-7-[4-(trifluoromethoxy)phenyl]-1,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylic acid benzyl ester Formula: C20H16F3N5O3 MolecularWeight: 431.36795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=N1)N=NN2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(N2C(=N1)N=NN2)C3=CC=C(C=C3)OC(F)(F)F)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H16F3N5O3/c1-12-16(18(29)30-11-13-5-3-2-4-6-13)17(28-19(24-12)25-26-27-28)14-7-9-15(10-8-14)31-20(21,22)23/h2-10,17H,11H2,1H3,(H,24,25,27)