(4-pyrazol-1-ylphenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C22H23N3O4/c1-22(2,3)29-21(27)24-18-7-4-6-17(14-18)20(26)28-15-16-8-10-19(11-9-16)25-13-5-12-23-25/h4-14H,15H2,1-3H3,(H,24,27)