(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidanidylpyridin-1-ium-4-yl)amino]propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidanidylpyridin-1-ium-4-yl)amino]propanoate Openeye Name: benzyl 2-[tert-butoxycarbonyl-(1-oxidopyridin-1-ium-4-yl)amino]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(1-oxido-4-pyridin-1-iumyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1-oxidopyridin-1-ium-4-yl)amino]propanoate Traditional Name: 2-[tert-butoxycarbonyl-(1-oxidopyridin-1-ium-4-yl)amino]propionic acid benzyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N(C2=CC=[N+](C=C2)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N(C2=CC=[N+](C=C2)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24N2O5/c1-15(18(23)26-14-16-8-6-5-7-9-16)22(19(24)27-20(2,3)4)17-10-12-21(25)13-11-17/h5-13,15H,14H2,1-4H3