N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(4-methoxyphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(4-methoxyphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(4-methoxyphenyl)-4-oxo-butanamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-4-keto-4-(4-methoxyphenyl)butyramide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCC(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCC(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O4/c1-28-17-5-2-14(3-6-17)19(26)7-9-21(27)25-11-10-16-13-29-20-8-4-15(22(23)24)12-18(16)20/h2-6,8,12,16H,7,9-11,13H2,1H3,(H3,23,24)(H,25,27)