Benzeneacetic acid, alpha-ethoxy-alpha-phenyl-, 2-pyridinylmethyl ester, hydrochloride
Basic information
- CAS
42023-79-0- Standard SMILES
CCOC(C(=O)OCc1ccccn1)(c1ccccc1)c1ccccc1.Cl- InChIKey
DNXWPLDTINUVNU-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO3
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.1288213
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-ethoxy-alpha-phenyl-, 2-pyridinylmethyl ester, hydrochloride
- IUPAC
- pyridin-2-ylmethyl 2-ethoxy-2,2-diphenylacetate;hydrochloride
Names & synonyms
F 1195Benzeneacetic acid, alpha-ethoxy-alpha-phenyl-, 2-pyridinylmethyl ester, hydrochloride2-Pyridinylmethyl 2,2-diphenyl-2-ethoxyacetate hydrochloride42023-79-0DTXSID70194849RefChem:324267DTXCID60117340(Pyridin-2-yl)methyl ethoxydi(phenyl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
42023-79-0- PubChem CID
- 3038985
- DTXSID
DTXSID70194849
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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