methyl 2-[1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]oxyethanoate

Systemtic Name: methyl 2-[1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]oxyethanoate Openeye Name: methyl 2-[[1-(5-carbamimidoylbenzofuran-2-carbonyl)-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-4-piperidinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-(5-carbamimidoyl-1-benzofuran-2-carbonyl)piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-(5-amidinobenzofuran-2-carbonyl)-4-piperidyl]oxy]acetic acid methyl ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

COC(=O)COC1CCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C18H21N3O5/c1-24-16(22)10-25-13-4-6-21(7-5-13)18(23)15-9-12-8-11(17(19)20)2-3-14(12)26-15/h2-3,8-9,13H,4-7,10H2,1H3,(H3,19,20)