O4-tert-butyl O5-butyl 1-[(4-methylphenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: O4-tert-butyl O5-butyl 1-[(4-methylphenyl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: O4-tert-butyl O5-butyl 1-(p-tolylmethyl)triazole-4,5-dicarboxylate CAS Name: 1-[(4-methylphenyl)methyl]triazole-4,5-dicarboxylic acid O4-tert-butyl ester O5-butyl ester IUPAC Name: 4-O-tert-butyl 5-O-butyl 1-[(4-methylphenyl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-(4-methylbenzyl)triazole-4,5-dicarboxylic acid O4-tert-butyl ester O5-butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N=NN1CC2=CC=C(C=C2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC(=O)C1=C(N=NN1CC2=CC=C(C=C2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-6-7-12-26-19(25)17-16(18(24)27-20(3,4)5)21-22-23(17)13-15-10-8-14(2)9-11-15/h8-11H,6-7,12-13H2,1-5H3