Basic information
- Standard SMILES
COC(=O)COc1ccc(OC/C=C(\c2ccc(C#CCn3cccn3)cc2)c2ccc(C(C)(C)C)cc2)cc1C- InChIKey
NHFJIDOFINOPEP-BIZUNTBRSA-N- Molecular formula
- C35H36N2O4
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- methyl (Z)-[4-[3-(4-tert-butyl-phenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-2-methylphenoxy]acetate
- IUPAC
- methyl 2-[4-[(Z)-3-(4-tert-butylphenyl)-3-[4-(3-pyrazol-1-ylprop-1-ynyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
Names & synonyms
NHFJIDOFINOPEP-BIZUNTBRSA-Nmethyl (Z)-[4-[3-(4-tert-butyl-phenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-2-methyl-phenoxy]acetatemethyl (Z)-[4-[3-(4-tert-butyl-phenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-2-methylphenoxy]acetatemethyl (Z)-[4-[3-(4-tert-butylphenyl)-3-[4-[3-(pyrazol-1-yl)propynyl]phenyl]allyloxy]-2-methyl-phenoxy]acetate
Database identifiers
- PubChem CID
- 86629317
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 911
Related reactions
3 records
Compound notes
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