diethyl 2-[[[(3aR,4S,6S,7S,7aR)-2-(4-methoxyphenyl)-6-methyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[(3aR,4S,6S,7S,7aR)-2-(4-methoxyphenyl)-6-methyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2-(4-methoxyphenyl)-6-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2-(4-methoxyphenyl)-6-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2-(4-methoxyphenyl)-6-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[(3aR,4S,6S,7S,7aR)-7-hydroxy-2-(4-methoxyphenyl)-6-methyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]amino]methylene]malonic acid diethyl ester Formula: C22H29NO9 MolecularWeight: 451.46696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1C2C(C(C(O1)C)O)OC(O2)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO9/c1-5-28-20(25)15(21(26)29-6-2)11-23-19-18-17(16(24)12(3)30-19)31-22(32-18)13-7-9-14(27-4)10-8-13/h7-12,16-19,22-24H,5-6H2,1-4H3/t12-,16-,17+,18+,19-,22?/m0/s1