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

Systemtic Name: (3-methylphenyl) 1-(4-butylphenyl)-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: m-tolyl 1-(4-butylphenyl)-5-methyl-triazole-4-carboxylate CAS Name: 1-(4-butylphenyl)-5-methyl-4-triazolecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1-(4-butylphenyl)-5-methyltriazole-4-carboxylate Traditional Name: 1-(4-butylphenyl)-5-methyl-triazole-4-carboxylic acid m-tolyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC3=CC=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O2/c1-4-5-8-17-10-12-18(13-11-17)24-16(3)20(22-23-24)21(25)26-19-9-6-7-15(2)14-19/h6-7,9-14H,4-5,8H2,1-3H3