tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H29N3O5/c1-22(2,3)30-19(26)12-28-16-7-5-15(6-8-16)25-21(27)18-11-14-10-13(20(23)24)4-9-17(14)29-18/h4,9-11,15-16H,5-8,12H2,1-3H3,(H3,23,24)(H,25,27)