2-(3,4-dimethylphenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Basic information
- CAS
474376-68-6- Standard SMILES
Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1C- InChIKey
HJDBUJZAZMPQSI-UHFFFAOYSA-N- Molecular formula
- C26H23NO5
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.15762283
Names & identifiers
- Preferred name
- 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
- IUPAC
- [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
- English name
- 2-(3,4-dimethylphenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate
- Molecular formula
- C26H23NO5
- Molecular weight
- 429.46452
Names & synonyms
2-(3,4-dimethylphenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoateOprea1_407645AK-918/12787102STK268977AKOS003246157AKOS022072047CCG-343008[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate2-(3,4-dimethylphenyl)-2-oxoethyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate2-(3,4-dimethylphenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate474376-68-6
Database identifiers
- CAS
474376-68-6- PubChem CID
- 2924728
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 819
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Compound notes
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