(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-2H-pyrrol-5-one IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-one Formula: C29H33N2O7+ MolecularWeight: 521.58152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)OC

InChI

InChI=1S/C29H32N2O7/c1-3-37-22-10-9-20(18-23(22)35-2)26-25(27(32)24-17-19-7-4-5-8-21(19)38-24)28(33)29(34)31(26)12-6-11-30-13-15-36-16-14-30/h4-5,7-10,17-18,26,33H,3,6,11-16H2,1-2H3/p+1/t26-/m0/s1