Chemical Compound
1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester, (2R,3R,4S)-
CAS Registry Number209214-30-2
Primary record
1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester, (2R,3R,4S)-
- CAS
- 209214-30-2
- PubChem CID
- 134715511
- SMILES
- CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)[O-])C3=CC4=C(C=C3)OCO4
- Molecular Formula
- C24H26NO7-
- Molecular Weight
- 440.472
- Exact Mass
- 440.1715
- InChI
- InChI=1S/C24H27NO7/c1-24(2,3)32-23(28)25-12-17(15-7-10-18-19(11-15)31-13-30-18)20(22(26)27)21(25)14-5-8-16(29-4)9-6-14/h5-11,17,20-21H,12-13H2,1-4H3,(H,26,27)/p-1/t17-,20-,21+/m1/s1
- InChIKey
- WTLIRKDJWDADOA-UIFIKXQLSA-M
- LogP
- 2.8656
- TPSA
- 97.36
Names and synonyms
- 1,3-Pyrrolidinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-, 1-(1,1-dimethylethyl) ester, (2R,3R,4S)-
- 209214-30-2