4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]benzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]benzoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)pyrimidin-5-yl]benzoic acid CAS Name: 4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]benzoic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)pyrimidin-5-yl]benzoic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H17N3O4/c1-16(2,3)23-15(22)19-14-17-8-12(9-18-14)10-4-6-11(7-5-10)13(20)21/h4-9H,1-3H3,(H,20,21)(H,17,18,19,22)