3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-2-(4-tetrahydrofuran-3-yloxyphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-2-[4-(3-oxolanyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(oxolan-3-yloxy)phenyl]propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-2-(4-tetrahydrofuran-3-yloxyphenyl)propionic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC1OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1COCC1OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C22H22N2O5/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(25)26)13-1-4-16(5-2-13)28-17-7-8-27-12-17/h1-6,9-10,17,19H,7-8,11-12H2,(H3,23,24)(H,25,26)