methyl 3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-pyridazin-1-ium-1-yl-propanoate

Systemtic Name: methyl 3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-pyridazin-1-ium-1-yl-propanoate Openeye Name: methyl 3-[3-[(tert-butoxycarbonylamino)methyl]-4-methoxy-phenyl]-2-pyridazin-1-ium-1-yl-propanoate CAS Name: 3-[4-methoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-2-(1-pyridazin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-pyridazin-1-ium-1-ylpropanoate Traditional Name: 3-[3-[(tert-butoxycarbonylamino)methyl]-4-methoxy-phenyl]-2-pyridazin-1-ium-1-yl-propionic acid methyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)CC(C(=O)OC)[N+]2=CC=CC=N2)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)CC(C(=O)OC)[N+]2=CC=CC=N2)OC

InChI

InChI=1S/C21H27N3O5/c1-21(2,3)29-20(26)22-14-16-12-15(8-9-18(16)27-4)13-17(19(25)28-5)24-11-7-6-10-23-24/h6-12,17H,13-14H2,1-5H3/p+1