Basic information
- CAS
74051-42-6- Standard SMILES
CN1C2CCC(OC(=O)C(O)(c3ccccc3)C3CCCC3)C1CC2- InChIKey
LZCYWXGWYVKLRQ-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- (+)-2alpha-Tropan-2-ol, (+-)-2-cyclopentyl-2-phenylglycolate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Names & synonyms
74051-42-6NSC 170445(+)-2alpha-Tropan-2-ol, (+-)-2-cyclopentyl-2-phenylglycolateNSC170445(+)-2-alpha-Tropan-2-ol, (+-)-2-cyclopentyl-2-phenylglycolateDTXSID601384988NSC-170445Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-2-yl esterWLN: T56 A ANTJ A1 FOVXQR&- AL5TJ(+)-2.alpha.-Tropan-2-ol, (+-)-2-cyclopentyl-2-phenylglycolateBenzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-2-yl ester(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Database identifiers
- CAS
74051-42-6- PubChem CID
- 99059
- DTXSID
DTXSID601384988
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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