Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)c(OC)c1)OCC- InChIKey
MZKSBZARDFRZFE-UHFFFAOYSA-N- Molecular formula
- C27H37NO7
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.25700252
Names & identifiers
- Preferred name
- 3-{4-[2-(4-Tert-butoxycarbonylaminophenyl)ethoxy]-3-methoxyphenyl}-2-ethoxypropanoic acid ethyl ester
- IUPAC
- ethyl 2-ethoxy-3-[3-methoxy-4-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethoxy]phenyl]propanoate
Names & synonyms
SCHEMBL5993850MZKSBZARDFRZFE-UHFFFAOYSA-N3-{4-[2-(4-tert-butoxycarbonylaminophenyl)ethoxy]-3-methoxyphenyl}-2-ethoxypropanoic acid ethyl ester
Database identifiers
- PubChem CID
- 57317812
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 628
Related reactions
2 records
Compound notes
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