2-(5-carbamimidoyl-1-benzofuran-2-yl)-5-(2,3-dihydro-1H-isoindol-5-yl)pent-4-ynoic acid dihydrochloride

Systemtic Name: 2-(5-carbamimidoyl-1-benzofuran-2-yl)-5-(2,3-dihydro-1H-isoindol-5-yl)pent-4-ynoic acid dihydrochloride Openeye Name: 2-(5-carbamimidoylbenzofuran-2-yl)-5-isoindolin-5-yl-pent-4-ynoic acid dihydrochloride CAS Name: 2-(5-carbamimidoyl-2-benzofuranyl)-5-(2,3-dihydro-1H-isoindol-5-yl)-4-pentynoic acid dihydrochloride IUPAC Name: 2-(5-carbamimidoyl-1-benzofuran-2-yl)-5-(2,3-dihydro-1H-isoindol-5-yl)pent-4-ynoic acid dihydrochloride Traditional Name: 2-(5-amidinobenzofuran-2-yl)-5-isoindolin-5-yl-pent-4-ynoic acid dihydrochloride Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)C#CCC(C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O.Cl.Cl

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)C#CCC(C3=CC4=C(O3)C=CC(=C4)C(=N)N)C(=O)O.Cl.Cl

InChI

InChI=1S/C22H19N3O3.2ClH/c23-21(24)14-6-7-19-16(9-14)10-20(28-19)18(22(26)27)3-1-2-13-4-5-15-11-25-12-17(15)8-13;;/h4-10,18,25H,3,11-12H2,(H3,23,24)(H,26,27);2*1H