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

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-(5-carbamimidoylbenzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-(5-carbamimidoyl-3-benzofuranyl)-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-(5-carbamimidoyl-1-benzofuran-3-yl)-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-(5-amidinobenzofuran-3-yl)-2-(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(CC3=COC4=C3C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=COC4=C3C=C(C=C4)C(=N)N)C(=O)O

InChI

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