Basic information
- Standard SMILES
CCOC(=O)Nc1ccccc1.Cc1ccc(C(C)C(=O)O)c(O)c1- InChIKey
FXYPRSYVXMRPLA-UHFFFAOYSA-N- Molecular formula
- C19H23NO5
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.15762283
Names & identifiers
- Preferred name
- 2-Hydroxy-4-methyl-hydratropic acid phenylurethane
- IUPAC
- ethyl N-phenylcarbamate;2-(2-hydroxy-4-methylphenyl)propanoic acid
Names & synonyms
SCHEMBL11101551FXYPRSYVXMRPLA-UHFFFAOYSA-N2-hydroxy-4-methyl-hydratropic acid phenylurethane
Database identifiers
- PubChem CID
- 70512917
Properties
Computed structural properties
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 332
Related reactions
3 records
Compound notes
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