(E)-[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate

Systemtic Name: (E)-[4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxy-phenyl)methanolate Openeye Name: (E)-(4-benzyloxy-2-methyl-phenyl)-[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-(3,4,5-trimethoxyphenyl)-3-pyrrolidinylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate IUPAC Name: (E)-[4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]-(2-methyl-4-phenylmethoxyphenyl)methanolate Traditional Name: (E)-(4-benzoxy-2-methyl-phenyl)-[4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyrrolidin-3-ylidene]methanolate Formula: C34H32N2O7 MolecularWeight: 580.62708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CC4=C[NH+]=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CC4=C[NH+]=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)/[O-]

InChI

InChI=1S/C34H32N2O7/c1-21-15-25(43-20-22-9-6-5-7-10-22)12-13-26(21)31(37)29-30(24-16-27(40-2)33(42-4)28(17-24)41-3)36(34(39)32(29)38)19-23-11-8-14-35-18-23/h5-18,30,37H,19-20H2,1-4H3/b31-29+