Basic information
- CAS
93101-34-9- Standard SMILES
CN1CC=C(COC(=O)C(O)(C2=CCCC2)c2ccccc2)CC1- InChIKey
BAGNPUVOSGJQFR-UHFFFAOYSA-N- Molecular formula
- C20H25NO3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.18344366
Names & identifiers
- Preferred name
- (1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)phenylacetate
- IUPAC
- (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Names & synonyms
93101-34-9DTXSID40918716(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)phenylacetateRefChem:1049264DTXCID701347662Mandelic acid, alpha-(1-cyclopentenyl)-, (1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl ester1-Methyl-1-(1,2,3,6-tetrahydropyridine)methyl phenyl(1-cyclopentenyl)glycolate(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)methyl (cyclopent-1-en-1-yl)(hydroxy)(phenyl)acetate
Database identifiers
- CAS
93101-34-9- PubChem CID
- 56541
- DTXSID
DTXSID40918716- Nikkaji
- J147.686F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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