dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylate
Basic information
- CAS
52731-29-0- Standard SMILES
COC(=O)C1=C/N(C2CCCCC2)C(=O)c2ccccc2/C(c2ccccc2)=C\1C(=O)OC- InChIKey
NHAHAIIWMNCEJA-RWMXDCAASA-N- Molecular formula
- C27H27NO5
- Average molar mass
- 445.5 g/mol
- Monoisotopic mass
- 445.18892296
Names & identifiers
- Preferred name
- dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylate
- IUPAC
- dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylate
Names & synonyms
NSC25529252731-29-0Benzazocine-4,5-dicarboxylate der.NSC-255292dimethyl (3E,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-4,5-dicarboxylateDimethyl 2-cyclohexyl-1,5-dicarboxylate2-Benzazocine-4, 2-cyclohexyl-1,2-dihydro-1-oxo-6-phenyl-, dimethyl esterDimethyl 2-cyclohexyl-1-oxo-6-phenyl-1,2-dihydro-2-benzazocine-4,5-dicarboxylate
Database identifiers
- CAS
52731-29-0- PubChem CID
- 5358482
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 816
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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