Basic information
- CAS
4071-26-5- Standard SMILES
CC(CN1CCCC1)C(OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)C(=O)O- InChIKey
LAZQOTSTOLFOAO-UHFFFAOYSA-N- Molecular formula
- C29H31NO6
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 489.21513771
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-methyl-, benzoate, oxalate
- IUPAC
- (2-methyl-1,1-diphenyl-3-pyrrolidin-1-ylpropyl) benzoate;oxalic acid
Names & synonyms
4071-26-51-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-methyl-, benzoate, oxalateRefChem:10571101-Benzoyloxy-1,1-diphenyl-2-methyl-3-pyrrolidylpropane oxalatealpha,alpha-Diphenyl-beta-methyl-1-pyrrolidinepropanol benzoate oxalateDTXSID60961108Oxalic acid--2-methyl-1,1-diphenyl-3-(pyrrolidin-1-yl)propyl benzoate (1/1)
Database identifiers
- CAS
4071-26-5- PubChem CID
- 199362
- DTXSID
DTXSID60961108
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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