methyl 4-[(3E)-3-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[(3E)-3-[1,3-benzodioxol-5-yl(oxidanyl)methylidene]-4,5-bis(oxidanylidene)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[(3E)-3-[1,3-benzodioxol-5-yl(hydroxy)methylene]-4,5-dioxo-1-(3-pyridylmethyl)pyrrolidin-2-yl]benzoate CAS Name: 4-[(3E)-3-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-4,5-dioxo-1-(3-pyridinylmethyl)-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-3-[1,3-benzodioxol-5-yl(hydroxy)methylidene]-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzoate Traditional Name: 4-[(3E)-3-[1,3-benzodioxol-5-yl(hydroxy)methylene]-4,5-diketo-1-(3-pyridylmethyl)pyrrolidin-2-yl]benzoic acid methyl ester Formula: C26H20N2O7 MolecularWeight: 472.4462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCO4)O)C(=O)C(=O)N2CC5=CN=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCO4)\O)/C(=O)C(=O)N2CC5=CN=CC=C5

InChI

InChI=1S/C26H20N2O7/c1-33-26(32)17-6-4-16(5-7-17)22-21(23(29)18-8-9-19-20(11-18)35-14-34-19)24(30)25(31)28(22)13-15-3-2-10-27-12-15/h2-12,22,29H,13-14H2,1H3/b23-21+