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

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]phenyl]propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]phenyl]propionic acid Formula: C19H17N3O4 MolecularWeight: 351.35598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C19H17N3O4/c20-18(21)12-4-7-15-13(9-12)10-16(26-15)19(25)22-14-5-1-11(2-6-14)3-8-17(23)24/h1-2,4-7,9-10H,3,8H2,(H3,20,21)(H,22,25)(H,23,24)