diethyl 2-[[[(2R,4aR,6R,7R,8S,8aR)-2-(4-methoxyphenyl)-7,8-bis(phenylcarbonyloxy)-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,8S,8aR)-2-(4-methoxyphenyl)-7,8-bis(phenylcarbonyloxy)-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,8S,8aR)-7,8-dibenzoyloxy-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,8S,8aR)-7,8-dibenzoyloxy-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,8S,8aR)-7,8-dibenzoyloxy-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,8S,8aR)-7,8-dibenzoyloxy-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: C36H37NO12 MolecularWeight: 675.67848

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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)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)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)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C36H37NO12/c1-4-43-34(40)26(35(41)44-5-2)20-37-31-30(48-33(39)23-14-10-7-11-15-23)29(47-32(38)22-12-8-6-9-13-22)28-27(46-31)21-45-36(49-28)24-16-18-25(42-3)19-17-24/h6-20,27-31,36-37H,4-5,21H2,1-3H3/t27-,28-,29+,30-,31-,36-/m1/s1