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

Systemtic Name: propan-2-yl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate Openeye Name: isopropyl 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]propanoate CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]propionic acid isopropyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)CCC1CCC(CC1)NC(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H29N3O4/c1-13(2)28-20(26)10-5-14-3-7-17(8-4-14)25-22(27)19-12-16-11-15(21(23)24)6-9-18(16)29-19/h6,9,11-14,17H,3-5,7-8,10H2,1-2H3,(H3,23,24)(H,25,27)