methyl 8-[[5-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1-benzofuran-2-yl]carbonylamino]octanoate

Systemtic Name: methyl 8-[[5-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1-benzofuran-2-yl]carbonylamino]octanoate Openeye Name: methyl 8-[[5-[(Z)-N'-tert-butoxycarbonylcarbamimidoyl]benzofuran-2-carbonyl]amino]octanoate CAS Name: 8-[[[5-[(Z)-amino-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]-2-benzofuranyl]-oxomethyl]amino]octanoic acid methyl ester IUPAC Name: methyl 8-[[5-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-1-benzofuran-2-carbonyl]amino]octanoate Traditional Name: 8-[[5-[(Z)-N'-tert-butoxycarbonylamidino]benzofuran-2-carbonyl]amino]caprylic acid methyl ester Formula: C24H33N3O6 MolecularWeight: 459.53532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N=C(C1=CC2=C(C=C1)OC(=C2)C(=O)NCCCCCCCC(=O)OC)N

Isomeric SMILES

CC(C)(C)OC(=O)/N=C(/C1=CC2=C(C=C1)OC(=C2)C(=O)NCCCCCCCC(=O)OC)\N

InChI

InChI=1S/C24H33N3O6/c1-24(2,3)33-23(30)27-21(25)16-11-12-18-17(14-16)15-19(32-18)22(29)26-13-9-7-5-6-8-10-20(28)31-4/h11-12,14-15H,5-10,13H2,1-4H3,(H,26,29)(H2,25,27,30)