3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-2-benzofuranyl)-3-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-(5-amidinobenzofuran-2-yl)-3-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC(=O)O)C3=CC4=C(O3)C=CC(=C4)C(=N)N

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC(=O)O)C3=CC4=C(O3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C22H23N3O4/c23-22(24)14-3-6-19-15(9-14)10-20(29-19)18(11-21(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17-18,25H,7-8,11-12H2,(H3,23,24)(H,26,27)