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

Systemtic Name: (E)-[2-(3-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(3-methyl-4-phenylmethoxy-phenyl)methanolate Openeye Name: (E)-(4-benzyloxy-3-methyl-phenyl)-[2-(4-hydroxy-3-methoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(4-hydroxy-3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(3-methyl-4-phenylmethoxyphenyl)methanolate IUPAC Name: (E)-[2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(3-methyl-4-phenylmethoxyphenyl)methanolate Traditional Name: (E)-(4-benzoxy-3-methyl-phenyl)-[2-(4-hydroxy-3-methoxy-phenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]methanolate Formula: C33H36N2O7 MolecularWeight: 572.64814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=C(C=C4)O)OC)[O-])OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC(=C(C=C4)O)OC)/[O-])OCC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O7/c1-22-19-25(10-12-27(22)42-21-23-7-4-3-5-8-23)31(37)29-30(24-9-11-26(36)28(20-24)40-2)35(33(39)32(29)38)14-6-13-34-15-17-41-18-16-34/h3-5,7-12,19-20,30,36-37H,6,13-18,21H2,1-2H3/b31-29+