methyl 8-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]octanoate

Systemtic Name: methyl 8-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]octanoate Openeye Name: methyl 8-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]octanoate CAS Name: 8-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]octanoic acid methyl ester IUPAC Name: methyl 8-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]octanoate Traditional Name: 8-[(5-amidinobenzofuran-2-carbonyl)amino]caprylic acid methyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCCCCCNC(=O)C1=CC2=C(O1)C=CC(=C2)C(=N)N

InChI

InChI=1S/C19H25N3O4/c1-25-17(23)7-5-3-2-4-6-10-22-19(24)16-12-14-11-13(18(20)21)8-9-15(14)26-16/h8-9,11-12H,2-7,10H2,1H3,(H3,20,21)(H,22,24)