2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(2,3-dimethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(2,3-dimethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(2,3-dimethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(2,3-dimethoxyphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C28H30N2O8 MolecularWeight: 522.5464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=C(C(=CC=C4)OC)OC)CC[NH+]5CCOCC5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=C(C(=CC=C4)OC)OC)CC[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C28H30N2O8/c1-34-19-8-4-6-17-16-21(38-26(17)19)24(31)22-23(18-7-5-9-20(35-2)27(18)36-3)30(28(33)25(22)32)11-10-29-12-14-37-15-13-29/h4-9,16,23,32H,10-15H2,1-3H3