Basic information
- Standard SMILES
O=C(O)c1ccc(C=C2CCc3cc(OCCn4ccnc4)ccc3C2=O)cc1- InChIKey
ZNZZRLZWASREFW-UHFFFAOYSA-N- Molecular formula
- C23H20N2O4
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.14230712
Names & identifiers
- Preferred name
- 4-[6-(2-Imidazole-1-yl-ethoxy)-1-oxo-3,4-dihydro-1H-naphthalen-2-ylidenemethyl]-benzoic acid
- IUPAC
- 4-[[6-(2-imidazol-1-ylethoxy)-1-oxo-3,4-dihydronaphthalen-2-ylidene]methyl]benzoic acid
Names & synonyms
SCHEMBL6172804ZNZZRLZWASREFW-UHFFFAOYSA-N4-[6-(2-Imidazole-1-yl-ethoxy)-1-oxo-3,4-dihydro-1H-naphthalen-2-ylidenemethyl]-benzoic acid
Database identifiers
- PubChem CID
- 54557207
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 626
Related reactions
4 records
Compound notes
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