(E)-[2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate

Systemtic Name: (E)-[2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Openeye Name: (E)-[2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate CAS Name: (E)-[2-(2,5-dimethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate IUPAC Name: (E)-[2-(2,5-dimethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Traditional Name: (E)-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[2-(2,5-dimethoxyphenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]methanolate Formula: C28H35N3O8 MolecularWeight: 541.5928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C(C=CC(=C4)OC)OC)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C(C=CC(=C4)OC)OC)/[O-])C)C(=O)OC

InChI

InChI=1S/C28H35N3O8/c1-16-21(17(2)29-23(16)28(35)38-5)25(32)22-24(19-15-18(36-3)7-8-20(19)37-4)31(27(34)26(22)33)10-6-9-30-11-13-39-14-12-30/h7-8,15,24,29,32H,6,9-14H2,1-5H3/b25-22+