(E)-[2-(3-methoxy-4-propoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-methylphenyl)methanolate

Systemtic Name: (E)-[2-(3-methoxy-4-propoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Openeye Name: (E)-[2-(3-methoxy-4-propoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(p-tolyl)methanolate CAS Name: (E)-[2-(3-methoxy-4-propoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-methylphenyl)methanolate IUPAC Name: (E)-[2-(3-methoxy-4-propoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methylphenyl)methanolate Traditional Name: (E)-[4,5-diketo-2-(3-methoxy-4-propoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(p-tolyl)methanolate Formula: C29H36N2O6 MolecularWeight: 508.60594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)C)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4)OC

InChI

InChI=1S/C29H36N2O6/c1-4-16-37-23-11-10-22(19-24(23)35-3)26-25(27(32)21-8-6-20(2)7-9-21)28(33)29(34)31(26)13-5-12-30-14-17-36-18-15-30/h6-11,19,26,32H,4-5,12-18H2,1-3H3/b27-25+