(2,3,6-trimethylphenyl) 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-benzyltriazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-triazolecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-benzyltriazole-4-carboxylate Traditional Name: 1-benzyltriazole-4-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C19H19N3O2 MolecularWeight: 321.37306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CN(N=N2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CN(N=N2)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H19N3O2/c1-13-9-10-14(2)18(15(13)3)24-19(23)17-12-22(21-20-17)11-16-7-5-4-6-8-16/h4-10,12H,11H2,1-3H3