tert-butyl 2-[4-[(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate

Systemtic Name: tert-butyl 2-[4-[(5-carbamimidoyl-3-methyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(5-carbamimidoyl-3-methyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[(5-carbamimidoyl-3-methyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-carbamimidoyl-3-methyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(5-amidino-3-methyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)OCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)C(=N)N)C(=O)NC3CCC(CC3)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O5/c1-13-17-11-14(21(24)25)5-10-18(17)30-20(13)22(28)26-15-6-8-16(9-7-15)29-12-19(27)31-23(2,3)4/h5,10-11,15-16H,6-9,12H2,1-4H3,(H3,24,25)(H,26,28)