Basic information
- CAS
4059-26-1- Standard SMILES
Cc1ccccc1C(O)(c1ccccc1)C(C)CN1CCCC1.O=C(O)C(=O)O- InChIKey
OGSMZLVFSJQENN-UHFFFAOYSA-N- Molecular formula
- C23H29NO5
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.20457303
Names & identifiers
- Preferred name
- Oxalic acid--2-methyl-1-(2-methylphenyl)-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol (1/1)
- IUPAC
- 2-methyl-1-(2-methylphenyl)-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;oxalic acid
Names & synonyms
4059-26-1DTXSID40960997Oxalic acid--2-methyl-1-(2-methylphenyl)-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol (1/1)RefChem:1093962DTXCID901388834beta-Methyl-alpha-phenyl-alpha-o-tolyl-1-pyrrolidinepropanol oxalate1-Pyrrolidinepropanol, beta-methyl-alpha-phenyl-alpha-o-tolyl-, oxalate (1:1)
Database identifiers
- CAS
4059-26-1- PubChem CID
- 199356
- DTXSID
DTXSID40960997
Properties
Computed structural properties
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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