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

Systemtic Name: (4-tert-butylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-tert-butylbenzyl) ester Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2/c1-26(2,3)21-16-14-19(15-17-21)18-31-25(30)23-27-24(20-10-6-4-7-11-20)29(28-23)22-12-8-5-9-13-22/h4-17H,18H2,1-3H3