Basic information
- Standard SMILES
COC(=O)CCN1CC2Cc3ccccc3C(c3ccccc3)C2C1- InChIKey
XVLIKMAADNUERI-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
Names & identifiers
- Preferred name
- (3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid methyl ester
- IUPAC
- methyl 3-(4-phenyl-1,3,3a,4,9,9a-hexahydrobenzo[f]isoindol-2-yl)propanoate
Names & synonyms
SCHEMBL11555197XVLIKMAADNUERI-UHFFFAOYSA-N(3aRS,4SR,9aSR)-3a,4,9,9a-tetrahydro-4-phenyl-benz[f]isoindoline-2-propionic acid methyl ester
Database identifiers
- PubChem CID
- 70609075
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Related reactions
4 records
Compound notes
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