(E)-[1-(furan-2-ylmethyl)-4,5-bis(oxidanylidene)-2-pyridin-1-ium-4-yl-pyrrolidin-3-ylidene]-[4-[(2-methylphenyl)methoxy]phenyl]methanolate

Systemtic Name: (E)-[1-(furan-2-ylmethyl)-4,5-bis(oxidanylidene)-2-pyridin-1-ium-4-yl-pyrrolidin-3-ylidene]-[4-[(2-methylphenyl)methoxy]phenyl]methanolate Openeye Name: (E)-[1-(2-furylmethyl)-4,5-dioxo-2-pyridin-1-ium-4-yl-pyrrolidin-3-ylidene]-[4-(o-tolylmethoxy)phenyl]methanolate CAS Name: (E)-[1-(2-furanylmethyl)-4,5-dioxo-2-(4-pyridin-1-iumyl)-3-pyrrolidinylidene]-[4-[(2-methylphenyl)methoxy]phenyl]methanolate IUPAC Name: (E)-[1-(furan-2-ylmethyl)-4,5-dioxo-2-pyridin-1-ium-4-ylpyrrolidin-3-ylidene]-[4-[(2-methylphenyl)methoxy]phenyl]methanolate Traditional Name: (E)-[1-(2-furfuryl)-4,5-diketo-2-pyridin-1-ium-4-yl-pyrrolidin-3-ylidene]-[4-(2-methylbenzyl)oxyphenyl]methanolate Formula: C29H24N2O5 MolecularWeight: 480.51126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=CC=C(C=C2)C(=C3C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC=[NH+]C=C5)[O-]

Isomeric SMILES

CC1=CC=CC=C1COC2=CC=C(C=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=CC=CO4)C5=CC=[NH+]C=C5)/[O-]

InChI

InChI=1S/C29H24N2O5/c1-19-5-2-3-6-22(19)18-36-23-10-8-21(9-11-23)27(32)25-26(20-12-14-30-15-13-20)31(29(34)28(25)33)17-24-7-4-16-35-24/h2-16,26,32H,17-18H2,1H3/b27-25+