2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Basic information
- CAS
474376-89-1- Standard SMILES
Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)C4C5CCC(C5)C4C3=O)cc2)cc1C- InChIKey
HQIUIXICPTTWCQ-UHFFFAOYSA-N- Molecular formula
- C26H25NO5
- Average molar mass
- 431.5 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
- IUPAC
- [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
- English name
- 2-(3,4-dimethylphenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
- Molecular formula
- C26H25NO5
- Molecular weight
- 431.4804
Names & synonyms
2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoateAK-918/12787116STK268984AKOS003246177AKOS022072055[2-(3,4-dimethylphenyl)-2-oxoethyl] 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate2-(3,4-dimethylphenyl)-2-oxoethyl 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate474376-89-1
Database identifiers
- CAS
474376-89-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 772
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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