Pyrrolidyl isomer of ditran
(1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
| Molecular Formula | C20H29NO3 |
|---|---|
| Molecular Weight | 331.4 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.21475 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 7199-05-5 |
|---|---|
| SMILES | CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O |
| InChIKey | QQJCHGFBFHJEGB-UHFFFAOYSA-N |
📖 Product Overview
Pyrrolidyl isomer of ditran (CAS: 7199-05-5) is a chemical compound with molecular formula C20H29NO3 and molecular weight 331.4 g/mol. Its IUPAC systematic name is (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate.
QQJCHGFBFHJEGB-UHFFFAOYSA-N.
SMILES: CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.
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