(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-pentoxy-phenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-pentoxy-phenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-pentoxy-phenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(1-imidazolyl)propyl]-2-(3-methoxy-4-pentoxyphenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-(3-methoxy-4-pentoxyphenyl)-2H-pyrrol-5-one Traditional Name: (5S)-5-(4-amoxy-3-methoxy-phenyl)-4-(benzofuran-2-carbonyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-3-pyrrolin-2-one Formula: C31H33N3O6 MolecularWeight: 543.61022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4)OC

InChI

InChI=1S/C31H33N3O6/c1-3-4-7-17-39-24-12-11-22(19-25(24)38-2)28-27(29(35)26-18-21-9-5-6-10-23(21)40-26)30(36)31(37)34(28)15-8-14-33-16-13-32-20-33/h5-6,9-13,16,18-20,28,36H,3-4,7-8,14-15,17H2,1-2H3/t28-/m0/s1