Basic information
- Standard SMILES
CCCc1cc(C#N)ccc1OC(C)(C(=O)O)c1ccc2c(c1)OCO2- InChIKey
DGRXGOUJNGGWBY-UHFFFAOYSA-N- Molecular formula
- C20H19NO5
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- Methyl alpha-(2-n-propyl-4-cyanophenoxy)-3,4-methylenedioxyphenylacetic acid
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-2-(4-cyano-2-propylphenoxy)propanoic acid
Names & synonyms
SCHEMBL7340508DGRXGOUJNGGWBY-UHFFFAOYSA-Nmethyl alpha-(2-n-propyl-4-cyanophenoxy)-3,4-methylenedioxyphenylacetic acid
Database identifiers
- PubChem CID
- 22912495
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Related reactions
4 records
Compound notes
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