Basic information
- Standard SMILES
CCCCc1ccc(C#Cc2ccc(CN(CC3CC3C(=O)OCC)c3ccc(F)c(C(=O)OC)c3)cc2)cc1- InChIKey
UTDCJYHXYVOTQA-UHFFFAOYSA-N- Molecular formula
- C34H36FNO4
- Average molar mass
- 541.7 g/mol
Names & identifiers
- Preferred name
- Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-2-fluorobenzoate
- IUPAC
- methyl 5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-[(2-ethoxycarbonylcyclopropyl)methyl]amino]-2-fluorobenzoate
Names & synonyms
SCHEMBL1813887UTDCJYHXYVOTQA-UHFFFAOYSA-Nmethyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}{[2-(ethoxycarbonyl) cyclopropyl]methyl}amino)-2-fluorobenzoatemethyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-2-fluorobenzoate
Database identifiers
- PubChem CID
- 57554524
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 879
Related reactions
3 records
Compound notes
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