(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4/c1-20(2,3)29-19(27)21-15-11-9-14(10-12-15)18(26)28-13-17-22-23-24-25(17)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,21,27)