2-[2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-phenyl]ethanoic acid Openeye Name: 2-[2-[2-(5-carbamimidoylbenzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-phenyl]acetic acid CAS Name: 2-[2-[2-(5-carbamimidoyl-2-benzofuranyl)ethyl]-5-(3-pyrrolidinyloxy)phenyl]acetic acid IUPAC Name: 2-[2-[2-(5-carbamimidoyl-1-benzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxyphenyl]acetic acid Traditional Name: 2-[2-[2-(5-amidinobenzofuran-2-yl)ethyl]-5-pyrrolidin-3-yloxy-phenyl]acetic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC(=C(C=C2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N)CC(=O)O

Isomeric SMILES

C1CNCC1OC2=CC(=C(C=C2)CCC3=CC4=C(O3)C=CC(=C4)C(=N)N)CC(=O)O

InChI

InChI=1S/C23H25N3O4/c24-23(25)15-3-6-21-17(9-15)11-19(30-21)5-2-14-1-4-18(10-16(14)12-22(27)28)29-20-7-8-26-13-20/h1,3-4,6,9-11,20,26H,2,5,7-8,12-13H2,(H3,24,25)(H,27,28)