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

Systemtic Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoic acid Openeye Name: 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]propanoic acid CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]propanoic acid Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]propionic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c20-18(21)12-4-7-15-13(9-12)10-16(26-15)19(25)22-14-5-1-11(2-6-14)3-8-17(23)24/h4,7,9-11,14H,1-3,5-6,8H2,(H3,20,21)(H,22,25)(H,23,24)