8-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]octanoic acid

Systemtic Name: 8-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]octanoic acid Openeye Name: 8-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]octanoic acid CAS Name: 8-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]octanoic acid Traditional Name: 8-[(5-amidinobenzofuran-2-carbonyl)amino]caprylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCCCCCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C18H23N3O4/c19-17(20)12-7-8-14-13(10-12)11-15(25-14)18(24)21-9-5-3-1-2-4-6-16(22)23/h7-8,10-11H,1-6,9H2,(H3,19,20)(H,21,24)(H,22,23)