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

Systemtic Name: tert-butyl 2-[[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]amino]ethanoate Openeye Name: tert-butyl 2-[[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]amino]acetate CAS Name: 2-[[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]amino]acetate Traditional Name: 2-[[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]amino]acetic acid tert-butyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CNC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H30N4O4/c1-22(2,3)30-19(27)12-25-15-5-7-16(8-6-15)26-21(28)18-11-14-10-13(20(23)24)4-9-17(14)29-18/h4,9-11,15-16,25H,5-8,12H2,1-3H3,(H3,23,24)(H,26,28)