Basic information
- Standard SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H]2[C@H]1OC(=O)CN2c1ccccc1- InChIKey
AKQAMHXODUPAEL-RTBURBONSA-N- Molecular formula
- C20H18N2O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.13174244
Names & identifiers
- Preferred name
- (4aR-cis)-1,2,3,4a,5,10b-Hexahydro-5,5-dimethyl-3-oxo-1-phenyl[1]benzopyrano[3,4-b][1,4]oxazine-9-carbonitrile
- IUPAC
- (4aR,10bR)-5,5-dimethyl-3-oxo-1-phenyl-4a,10b-dihydro-2H-chromeno[3,4-b][1,4]oxazine-9-carbonitrile
Names & synonyms
SCHEMBL9226815AKQAMHXODUPAEL-RTBURBONSA-N(4aR-cis)-1,2,3,4a,5,10b-Hexahydro-5,5-dimethyl-3-oxo-1-phenyl[1]benzopyrano[3,4-b][1,4]oxazine-9-carbonitrile
Database identifiers
- PubChem CID
- 67799274
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Related reactions
1 records
Compound notes
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