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

Systemtic Name: piperidin-1-yl 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-yl]carbonylamino]propanoate Openeye Name: 1-piperidyl 2-[[5-[(E)-N'-benzyloxycarbonylcarbamimidoyl]benzofuran-2-carbonyl]amino]propanoate CAS Name: 2-[[[5-[(E)-amino(phenylmethoxycarbonylimino)methyl]-2-benzofuranyl]-oxomethyl]amino]propanoic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 2-[[5-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]-1-benzofuran-2-carbonyl]amino]propanoate Traditional Name: 2-[[5-[(E)-N'-carbobenzoxyamidino]benzofuran-2-carbonyl]amino]propionic acid piperidino ester Formula: C26H28N4O6 MolecularWeight: 492.52372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON1CCCCC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=NC(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)ON1CCCCC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)/C(=N\C(=O)OCC4=CC=CC=C4)/N

InChI

InChI=1S/C26H28N4O6/c1-17(25(32)36-30-12-6-3-7-13-30)28-24(31)22-15-20-14-19(10-11-21(20)35-22)23(27)29-26(33)34-16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15,17H,3,6-7,12-13,16H2,1H3,(H,28,31)(H2,27,29,33)