(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C28H29N3O2/c1-19-16-22(28(3,4)5)17-20(2)24(19)18-33-27(32)25-29-26(21-12-8-6-9-13-21)31(30-25)23-14-10-7-11-15-23/h6-17H,18H2,1-5H3