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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=CC=C2C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCC1OC2=CC=CC=C2C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

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