3-(1-benzofuran-2-yl)-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]propanoic acid

Systemtic Name: 3-(1-benzofuran-2-yl)-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-bis(oxidanylidene)piperazin-1-yl]propanoic acid Openeye Name: 3-(benzofuran-2-yl)-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-piperazin-1-yl]propanoic acid CAS Name: 3-(2-benzofuranyl)-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxo-1-piperazinyl]propanoic acid IUPAC Name: 3-(1-benzofuran-2-yl)-3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenoxy)propyl]-2,3-diketo-piperazino]-3-(benzofuran-2-yl)propionic acid Formula: C25H26N4O6 MolecularWeight: 478.49714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCCOC2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H26N4O6/c26-23(27)16-6-8-18(9-7-16)34-13-3-10-28-11-12-29(25(33)24(28)32)19(15-22(30)31)21-14-17-4-1-2-5-20(17)35-21/h1-2,4-9,14,19H,3,10-13,15H2,(H3,26,27)(H,30,31)