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

Systemtic Name: methyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]cyclohexyl]propanoate Openeye Name: methyl 3-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]cyclohexyl]propanoate CAS Name: 3-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]cyclohexyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]cyclohexyl]propanoate Traditional Name: 3-[4-[(5-amidinobenzofuran-2-carbonyl)amino]cyclohexyl]propionic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-26-18(24)9-4-12-2-6-15(7-3-12)23-20(25)17-11-14-10-13(19(21)22)5-8-16(14)27-17/h5,8,10-12,15H,2-4,6-7,9H2,1H3,(H3,21,22)(H,23,25)