1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3-hydroxy-4-methoxyphenyl)methylene)-2-methyl-5-oxo-
Basic information
- CAS
73043-37-5- Standard SMILES
COc1ccc(/C=C2/N=C(C)N(CCCC(=O)O)C2=O)cc1O- InChIKey
ZDWIRSFGJOULLM-XYOKQWHBSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.12157168
Names & identifiers
- Preferred name
- 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3-hydroxy-4-methoxyphenyl)methylene)-2-methyl-5-oxo-
- IUPAC
- 4-[(4E)-4-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid
Names & synonyms
1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3-hydroxy-4-methoxyphenyl)methylene)-2-methyl-5-oxo-73043-37-5RefChem:1057960BRN 0837291
Database identifiers
- CAS
73043-37-5- PubChem CID
- 6447271
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 529
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Compound notes
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