Basic information
- CAS
23026-52-0- Standard SMILES
COc1ccccc1OC1CCN(CCCOC(=O)c2ccccc2)C1.O=C(O)C(=O)O- InChIKey
RWXUAXZBVQALCH-UHFFFAOYSA-N- Molecular formula
- C23H27NO8
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.17366682
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, benzoate (ester), oxalate (1:1)
- IUPAC
- 3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate;oxalic acid
Names & synonyms
23026-52-03-(o-Methoxyphenoxy)-1-pyrrolidinepropanol benzoate (ester) oxalate (1:1)1-Pyrrolidinepropanol, 3-(o-methoxyphenoxy)-, benzoate (ester), oxalate (1:1)RefChem:2352703-(3-(2-Methoxyphenoxy)pyrrolidin-1-yl)propyl benzoate oxalateDTXSID30945713Oxalic acid--3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl benzoate (1/1)
Database identifiers
- CAS
23026-52-0- PubChem CID
- 211399
- DTXSID
DTXSID30945713
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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