ethyl 5-[2-(2-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-[2-(2-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-[2-(2-benzyloxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylate CAS Name: 5-[2-(2-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylate Traditional Name: 5-[2-(2-benzoxyphenyl)ethyl]-1H-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=N1)CCC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NNC(=N1)CCC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-2-25-20(24)19-21-18(22-23-19)13-12-16-10-6-7-11-17(16)26-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,22,23)