2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-(2-chloranylphenoxy)-2-methyl-pentanamide

Systemtic Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-(2-chloranylphenoxy)-2-methyl-pentanamide Openeye Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-3-(2-chlorophenoxy)-2-methyl-pentanamide CAS Name: 2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)-3-(2-chlorophenoxy)-2-methylpentanamide IUPAC Name: 2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)-3-(2-chlorophenoxy)-2-methylpentanamide Traditional Name: 2-(5-amidinocoumaran-3-yl)-3-(2-chlorophenoxy)-2-methyl-valeramide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C1COC2=C1C=C(C=C2)C(=N)N)C(=O)N)OC3=CC=CC=C3Cl

Isomeric SMILES

CCC(C(C)(C1COC2=C1C=C(C=C2)C(=N)N)C(=O)N)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O3/c1-3-18(28-17-7-5-4-6-15(17)22)21(2,20(25)26)14-11-27-16-9-8-12(19(23)24)10-13(14)16/h4-10,14,18H,3,11H2,1-2H3,(H3,23,24)(H2,25,26)