Basic information
- Standard SMILES
CN(C)C=C(C(=O)C(=O)c1ccccc1)c1ccc(C(=O)O)cc1- InChIKey
LZSUWELDGCMURZ-UHFFFAOYSA-N- Molecular formula
- C19H17NO4
- Average molar mass
- 323.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Carboxyphenyl)-1-dimethylamino-4-phenyl-1-butene-3,4-dione
- IUPAC
- 4-[1-(dimethylamino)-3,4-dioxo-4-phenylbut-1-en-2-yl]benzoic acid
Names & synonyms
SCHEMBL11480260LZSUWELDGCMURZ-UHFFFAOYSA-N2-(4-carboxyphenyl)-1-dimethylamino-4-phenyl-1-butene-3,4-dione2-(4carboxyphenyl)-1-dimethylamino-4-phenyl-1-butene-3,4-dione
Database identifiers
- PubChem CID
- 54061069
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 509
Related reactions
12 records
Compound notes
Loading…