[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C17H22N4O3/c1-12(15(22)20-17(2,3)4)24-16(23)14-7-5-13(6-8-14)9-21-11-18-10-19-21/h5-8,10-12H,9H2,1-4H3,(H,20,22)