tert-butyl (4S,5S)-5-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxane-4-carboxylate

Systemtic Name: tert-butyl (4S,5S)-5-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxane-4-carboxylate Openeye Name: tert-butyl (4S,5S)-5-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxane-4-carboxylate CAS Name: (4S,5S)-5-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S)-5-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxane-4-carboxylate Traditional Name: (4S,5S)-2-(4-methoxyphenyl)-5-piperonyl-1,3-dioxane-4-carboxylic acid tert-butyl ester Formula: C24H28O7 MolecularWeight: 428.47492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(COC(O1)C2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1[C@H](COC(O1)C2=CC=C(C=C2)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28O7/c1-24(2,3)31-22(25)21-17(11-15-5-10-19-20(12-15)29-14-28-19)13-27-23(30-21)16-6-8-18(26-4)9-7-16/h5-10,12,17,21,23H,11,13-14H2,1-4H3/t17-,21-,23?/m0/s1