ethyl 1-(4-butylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4-butylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4-butylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(4-butylphenyl)-5-methyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-butylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(4-butylphenyl)-5-methyl-triazole-4-carboxylic acid ethyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OCC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OCC)C

InChI

InChI=1S/C16H21N3O2/c1-4-6-7-13-8-10-14(11-9-13)19-12(3)15(17-18-19)16(20)21-5-2/h8-11H,4-7H2,1-3H3