4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]phthalic acid

Systemtic Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]phthalic acid Openeye Name: 4-[[2-(tert-butoxycarbonylamino)phenyl]methyl]phthalic acid CAS Name: 4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methyl]phthalic acid IUPAC Name: 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]phthalic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)benzyl]phthalic acid Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-20(2,3)27-19(26)21-16-7-5-4-6-13(16)10-12-8-9-14(17(22)23)15(11-12)18(24)25/h4-9,11H,10H2,1-3H3,(H,21,26)(H,22,23)(H,24,25)