Basic information
- Standard SMILES
CCOC(=O)N[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O- InChIKey
SHIQGSQNHQOUPD-OLZOCXBDSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
Names & identifiers
- Preferred name
- Trans-6-cyano-4-(ethoxycarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-ol
- IUPAC
- ethyl N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]carbamate
Names & synonyms
SCHEMBL10908906SHIQGSQNHQOUPD-OLZOCXBDSA-NTrans-6-cyano-4-(ethoxycarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-3-ol
Database identifiers
- PubChem CID
- 15634874
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
1 records
Compound notes
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