[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC(=O)NCCC(C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC(=O)NCCC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3/c1-12(2)9-10-18-15(22)11-24-17(23)16-13(3)19-21(20-16)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H,18,22)