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Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(NC(C(=O)O)c2ccc(C(C)(C)C)cc2)cc1- InChIKey
BSWAHLNKHKFBFC-UHFFFAOYSA-N- Molecular formula
- C23H29NO4
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 4-{[(4-tert-Butyl-phenyl)-carboxy-methyl]-amino}-benzoic Acid Tert-butyl Ester
- IUPAC
- 2-(4-tert-butylphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
Names & synonyms
SCHEMBL2657312BSWAHLNKHKFBFC-UHFFFAOYSA-N4-{[(4-tert-Butyl-phenyl)-carb oxy-methyl]-amino}-benzoic acid tert-butyl ester4-{[(4-tert-Butyl-phenyl)-carboxy-methyl]-amino}-benzoic Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 67486232
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
4 records
Compound notes
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