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

Systemtic Name: tert-butyl 2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]cyclohexyl]oxyethanoate Openeye Name: tert-butyl 2-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetate CAS Name: 2-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]cyclohexyl]oxyacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]oxyacetate Traditional Name: 2-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid tert-butyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1CCC(CC1)NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C29H35N3O5/c1-29(2,3)37-24(33)17-35-21-12-10-20(11-13-21)32-28(34)26-25(27(30)31)22-16-19(9-14-23(22)36-26)15-18-7-5-4-6-8-18/h4-9,14,16,20-21H,10-13,15,17H2,1-3H3,(H3,30,31)(H,32,34)