diethyl 2-[[[(2R,4aR,6R,7R,8R,8aS)-2-(4-methoxyphenyl)-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[(2R,4aR,6R,7R,8R,8aS)-2-(4-methoxyphenyl)-7,8-bis(oxidanyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylene]propanedioate CAS Name: 2-[[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]amino]methylene]malonic acid diethyl ester Formula: C22H29NO10 MolecularWeight: 467.46636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1C(C(C2C(O1)COC(O2)C3=CC=C(C=C3)OC)O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN[C@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=C(C=C3)OC)O)O)C(=O)OCC

InChI

InChI=1S/C22H29NO10/c1-4-29-20(26)14(21(27)30-5-2)10-23-19-17(25)16(24)18-15(32-19)11-31-22(33-18)12-6-8-13(28-3)9-7-12/h6-10,15-19,22-25H,4-5,11H2,1-3H3/t15-,16-,17-,18-,19-,22-/m1/s1