2-methylbut-3-yn-2-yl 6-(benzotriazol-1-ylcarbonyl)-3-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: 2-methylbut-3-yn-2-yl 6-(benzotriazol-1-ylcarbonyl)-3-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: 1,1-dimethylprop-2-ynyl 6-(benzotriazole-1-carbonyl)-3-methyl-cyclohex-3-ene-1-carboxylate CAS Name: 6-[1-benzotriazolyl(oxo)methyl]-3-methyl-1-cyclohex-3-enecarboxylic acid 2-methylbut-3-yn-2-yl ester IUPAC Name: 2-methylbut-3-yn-2-yl 6-(benzotriazole-1-carbonyl)-3-methylcyclohex-3-ene-1-carboxylate Traditional Name: 6-(benzotriazole-1-carbonyl)-3-methyl-cyclohex-3-ene-1-carboxylic acid 1,1-dimethylprop-2-ynyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)OC(C)(C)C#C)C(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CCC(C(C1)C(=O)OC(C)(C)C#C)C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H21N3O3/c1-5-20(3,4)26-19(25)15-12-13(2)10-11-14(15)18(24)23-17-9-7-6-8-16(17)21-22-23/h1,6-10,14-15H,11-12H2,2-4H3