Basic information
- Standard SMILES
CCOC(Cc1ccc(OC(=O)Cc2ccc(NC(=O)OC(C)(C)C)cc2)c(C)c1)C(=O)OCc1ccccc1- InChIKey
SWSAXAWUNJEDIY-UHFFFAOYSA-N- Molecular formula
- C32H37NO7
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.25700252
Names & identifiers
- Preferred name
- 3-{4-[2-(4-tert-Butoxycarbonylamino-phenyl)-acetoxy]-3-methyl-phenyl}-2-ethoxy-propionic acid benzyl ester
- IUPAC
- benzyl 2-ethoxy-3-[3-methyl-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]oxyphenyl]propanoate
Names & synonyms
SCHEMBL979885SWSAXAWUNJEDIY-UHFFFAOYSA-N3-{4-[2-(4-tert-Butoxycarbonylamino-phenyl)-acetoxy]-3-methyl-phenyl}-2-ethoxy-propionic acid benzyl ester
Database identifiers
- PubChem CID
- 66865321
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 796
Related reactions
4 records
Compound notes
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