cyclohexyl 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-yl]carbonylamino]propanoate

Systemtic Name: cyclohexyl 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: cyclohexyl 2-[[5-[(E)-N'-benzyloxycarbonylcarbamimidoyl]benzofuran-2-carbonyl]amino]propanoate CAS Name: 2-[[[5-[(E)-amino(phenylmethoxycarbonylimino)methyl]-2-benzofuranyl]-oxomethyl]amino]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-carbonyl]amino]propanoate Traditional Name: 2-[[5-[(E)-N'-carbobenzoxyamidino]benzofuran-2-carbonyl]amino]propionic acid cyclohexyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CCCCC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=NC(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)OC1CCCCC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)/C(=N\C(=O)OCC4=CC=CC=C4)/N

InChI

InChI=1S/C27H29N3O6/c1-17(26(32)35-21-10-6-3-7-11-21)29-25(31)23-15-20-14-19(12-13-22(20)36-23)24(28)30-27(33)34-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,29,31)(H2,28,30,33)