Basic information
- Standard SMILES
CCCCc1ccc(C#Cc2ccc(CN(Cc3ccc(OCC(=O)O)cc3)C(=O)c3cn[nH]c3)cc2)cc1- InChIKey
SMKNLWGQOMDOEM-UHFFFAOYSA-N- Molecular formula
- C32H31N3O4
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- (4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(1H-pyrazol-4-ylcarbonyl)amino]methyl}phenoxy)acetic acid
- IUPAC
- 2-[4-[[[4-[2-(4-butylphenyl)ethynyl]phenyl]methyl-(1H-pyrazole-4-carbonyl)amino]methyl]phenoxy]acetic acid
Names & synonyms
SCHEMBL2858233SMKNLWGQOMDOEM-UHFFFAOYSA-N(4-{[{4-[(4-butylphenyl)ethynyl]benzyl}(1H-pyrazol-4-ylcarbonyl)amino]methyl}phenoxy)acetic acid
Database identifiers
- PubChem CID
- 11214580
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 827
Related reactions
2 records
Compound notes
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