ethyl 1-(phenylmethyl)-5-(2,3,5-trimethylphenoxy)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-5-(2,3,5-trimethylphenoxy)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-(2,3,5-trimethylphenoxy)triazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-(2,3,5-trimethylphenoxy)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(2,3,5-trimethylphenoxy)triazole-4-carboxylate Traditional Name: 1-benzyl-5-(2,3,5-trimethylphenoxy)triazole-4-carboxylic acid ethyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)OC3=CC(=CC(=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)OC3=CC(=CC(=C3C)C)C

InChI

InChI=1S/C21H23N3O3/c1-5-26-21(25)19-20(27-18-12-14(2)11-15(3)16(18)4)24(23-22-19)13-17-9-7-6-8-10-17/h6-12H,5,13H2,1-4H3