N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-oxidanylidene-5-phenyl-pentanamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-oxidanylidene-5-phenyl-pentanamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-oxo-5-phenyl-pentanamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-oxo-5-phenylpentanamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-oxo-5-phenylpentanamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-keto-5-phenyl-valeramide Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)CCCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(C2=C(O1)C=CC(=C2)C(=N)N)CCNC(=O)CCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c23-22(24)16-9-10-20-18(13-16)17(14-28-20)11-12-25-21(27)8-4-7-19(26)15-5-2-1-3-6-15/h1-3,5-6,9-10,13,17H,4,7-8,11-12,14H2,(H3,23,24)(H,25,27)