2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(4-nitrophenyl)methoxy]phenyl]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(4-nitrobenzyl)oxyphenyl]propionic acid Formula: C21H24N2O7 MolecularWeight: 416.42446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H24N2O7/c1-21(2,3)30-20(26)22-18(19(24)25)12-14-6-10-17(11-7-14)29-13-15-4-8-16(9-5-15)23(27)28/h4-11,18H,12-13H2,1-3H3,(H,22,26)(H,24,25)