4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl methyl succinate
Basic information
- Standard SMILES
COC(=O)CCC(=O)Oc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1- InChIKey
BCLHLASDBIXCIV-SFQUDFHCSA-N- Molecular formula
- C22H21NO6
- Average molar mass
- 395.4 g/mol
- Monoisotopic mass
- 395.13688739
Names & identifiers
- Preferred name
- 4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl methyl succinate
- IUPAC
- 4-O-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]phenyl] 1-O-methyl butanedioate
Names & synonyms
SCHEMBL4991247BCLHLASDBIXCIV-SFQUDFHCSA-N4-[(Z)-2-cyano-2-(3,4-dimethoxy-phenyl)-vinyl]-phenyl methyl succinate
Database identifiers
- PubChem CID
- 10046211
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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