Basic information
- CAS
55798-64-6- Standard SMILES
Cc1ccc(C)c(C(O)(C(=O)OCCCN2CCCC2)c2ccccc2)c1.Cl- InChIKey
HFSKZVIZCZVKLT-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO3
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1914215
Names & identifiers
- Preferred name
- 3-(Pyrrolidin-1-yl)propyl (2,5-dimethylphenyl)(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- 3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride
Names & synonyms
DTXSID7097119755798-64-63-(Pyrrolidin-1-yl)propyl (2,5-dimethylphenyl)(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1067234DTXCID801398713Benzilic acid, 3-(2,5-dimethyl-1-pyrrolidinyl)propyl ester, hydrochloride3-(Pyrrolidin-1-yl)propyl (2,5-dimethylphenyl)(hydroxy)(phenyl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
55798-64-6- PubChem CID
- 108367
- DTXSID
DTXSID70971197
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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