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

Systemtic Name: butyl 4-[[1-(phenylmethyl)-1,2,3-triazol-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[(1-benzyltriazole-4-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[1-(phenylmethyl)-4-triazolyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(1-benzyltriazole-4-carbonyl)amino]benzoate Traditional Name: 4-[(1-benzyltriazole-4-carbonyl)amino]benzoic acid butyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-2-3-13-28-21(27)17-9-11-18(12-10-17)22-20(26)19-15-25(24-23-19)14-16-7-5-4-6-8-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,26)