Basic information
- CAS
2001-91-4- Standard SMILES
CCN1CCCC1COC(=O)C(O)(c1ccccc1)C1CCCC1.Cl- InChIKey
ZYHGAQAAQHWBGF-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- N-Ethyl-2-pyrrolidylmethyl phenylcyclopentylglycolate hydrochloride
- IUPAC
- (1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate;hydrochloride
Names & synonyms
E3XF1ZS4VK2001-91-4N-Ethyl-2-pyrrolidylmethyl phenylcyclopentylglycolate hydrochlorideUNII-E3XF1ZS4VKN-Ethyl-2-pyrrolidylmethylphenylcyclopentyl-glycollateDTXSID50941994(1-Ethyl-2-pyrrolidinyl)methyl alpha-cyclopentyl-alpha-hydroxybenzeneacetate hydrochlorideMandelic acid, .alpha.-cyclopentyl-, (1-ethyl-2-pyrrolidinyl)methyl ester hydrochlorideBenzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochlorideN-ethyl-2 pyrrolidylmethyl phenylcyclopentylglycolate hydrochloride(1-Ethylpyrrolidin-2-yl)methyl cyclopentyl(hydroxy)(phenyl)acetate--hydrogen chloride (1/1)(1-Ethylpyrrolidin-2-yl)methyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
Show more names
N-ETHYL-2-PYRROLIDINYLMETHYL-ALPHA-PHENYLCYCLOPENTYL GLYCOLATE HYDROCHLORIDEBENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, (1-ETHYL-2-PYRROLIDINYL)METHYL ESTER, HYDROCHLORIDE (1:1)
Database identifiers
- CAS
2001-91-4- PubChem CID
- 16153
- DTXSID
DTXSID50941994- UNII
- E3XF1ZS4VK
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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