Basic information
- Standard SMILES
CCCCC(CC)COC(=O)C(C#N)=C1c2ccc(OC)cc2CC1C- InChIKey
NORWUKACCBURDQ-UHFFFAOYSA-N- Molecular formula
- C22H29NO3
- Average molar mass
- 355.5 g/mol
Names & identifiers
- Preferred name
- cyano-(2,3-dihydro-5-methoxy-2-methyl-1H-inden-1-ylidene)acetic acid 2-ethyl-hexyl ester
- IUPAC
- 2-ethylhexyl 2-cyano-2-(5-methoxy-2-methyl-2,3-dihydroinden-1-ylidene)acetate
Names & synonyms
SCHEMBL6553338NORWUKACCBURDQ-UHFFFAOYSA-Ncyano-(2,3-dihydro-5-methoxy-2-methyl-1H-inden-1-ylidene)acetic acid 2-ethyl-hexyl ester
Database identifiers
- PubChem CID
- 69822365
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 559
Related reactions
2 records
Compound notes
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