3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-ethanoylpyrrolidin-3-yl)oxyphenyl]propanoic acid

Systemtic Name: 3-(5-carbamimidoyl-1-benzofuran-2-yl)-2-[4-(1-ethanoylpyrrolidin-3-yl)oxyphenyl]propanoic acid Openeye Name: 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-carbamimidoylbenzofuran-2-yl)propanoic acid CAS Name: 2-[4-[(1-acetyl-3-pyrrolidinyl)oxy]phenyl]-3-(5-carbamimidoyl-2-benzofuranyl)propanoic acid IUPAC Name: 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-carbamimidoyl-1-benzofuran-2-yl)propanoic acid Traditional Name: 2-[4-(1-acetylpyrrolidin-3-yl)oxyphenyl]-3-(5-amidinobenzofuran-2-yl)propionic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H25N3O5/c1-14(28)27-9-8-19(13-27)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(25)26)4-7-22(17)32-20/h2-7,10-11,19,21H,8-9,12-13H2,1H3,(H3,25,26)(H,29,30)