2-hydroxyethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate

Systemtic Name: 2-hydroxyethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate Openeye Name: 2-hydroxyethyl 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]propanoate CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]propanoic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]propionic acid 2-hydroxyethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC(=O)OCCO)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1CCC(=O)OCCO)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C21H27N3O5/c22-20(23)14-4-7-17-15(11-14)12-18(29-17)21(27)24-16-5-1-13(2-6-16)3-8-19(26)28-10-9-25/h4,7,11-13,16,25H,1-3,5-6,8-10H2,(H3,22,23)(H,24,27)