butyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid butyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC=N2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C16H20N4O3/c1-2-3-10-23-16(22)13-4-6-14(7-5-13)19-15(21)8-9-20-12-17-11-18-20/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,21)