Basic information
- Standard SMILES
CO/C(=C/N[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O)COC=C=O- InChIKey
URKSEVHZMCUUGG-KWEXZYJESA-N- Molecular formula
- C18H20N2O5
- Average molar mass
- 344.4 g/mol
Names & identifiers
- Preferred name
- 6-cyano-3,4-dihydro-2,2-dimethyl-trans-3-hydroxy-4-(2-methoxy-3-carbonylmethoxy-2-E-propen-1-yl)amino-2H-1-benzopyran
- IUPAC
- (3S,4R)-3-hydroxy-4-[[(E)-2-methoxy-3-(2-oxoethenoxy)prop-1-enyl]amino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
URKSEVHZMCUUGG-KWEXZYJESA-N6-cyano-3,4-dihydro-2,2-dimethyl-trans-3-hydroxy-4-(2-methoxy-3-carbonylmethoxy-2-E-propen-1-yl)amino-2H-1-benzopyran
Database identifiers
- PubChem CID
- 86744643
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 588
Related reactions
2 records
Compound notes
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