2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]cyclohexyl]oxyethanoic acid

Systemtic Name: 2-[4-[[3-carbamimidoyl-5-(phenylmethyl)-1-benzofuran-2-yl]carbonylamino]cyclohexyl]oxyethanoic acid Openeye Name: 2-[4-[(5-benzyl-3-carbamimidoyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid CAS Name: 2-[4-[[[3-carbamimidoyl-5-(phenylmethyl)-2-benzofuranyl]-oxomethyl]amino]cyclohexyl]oxyacetic acid IUPAC Name: 2-[4-[(5-benzyl-3-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]oxyacetic acid Traditional Name: 2-[4-[(3-amidino-5-benzyl-benzofuran-2-carbonyl)amino]cyclohexoxy]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N)OCC(=O)O

Isomeric SMILES

C1CC(CCC1NC(=O)C2=C(C3=C(O2)C=CC(=C3)CC4=CC=CC=C4)C(=N)N)OCC(=O)O

InChI

InChI=1S/C25H27N3O5/c26-24(27)22-19-13-16(12-15-4-2-1-3-5-15)6-11-20(19)33-23(22)25(31)28-17-7-9-18(10-8-17)32-14-21(29)30/h1-6,11,13,17-18H,7-10,12,14H2,(H3,26,27)(H,28,31)(H,29,30)