tert-butyl 3-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phenyl-ethyl]-5-oxidanylidene-1,2,4-triazole-4-carboxylate

Systemtic Name: tert-butyl 3-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phenyl-ethyl]-5-oxidanylidene-1,2,4-triazole-4-carboxylate Openeye Name: tert-butyl 1-(2-tert-butoxycarbonyloxy-2-phenyl-ethyl)-3-methyl-5-oxo-1,2,4-triazole-4-carboxylate CAS Name: 3-methyl-1-[2-[(2-methylpropan-2-yl)oxy-oxomethoxy]-2-phenylethyl]-5-oxo-1,2,4-triazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-phenylethyl]-5-oxo-1,2,4-triazole-4-carboxylate Traditional Name: 1-(2-tert-butoxycarbonyloxy-2-phenyl-ethyl)-5-keto-3-methyl-1,2,4-triazole-4-carboxylic acid tert-butyl ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)CC(C2=CC=CC=C2)OC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)CC(C2=CC=CC=C2)OC(=O)OC(C)(C)C

InChI

InChI=1S/C21H29N3O6/c1-14-22-23(17(25)24(14)18(26)29-20(2,3)4)13-16(15-11-9-8-10-12-15)28-19(27)30-21(5,6)7/h8-12,16H,13H2,1-7H3