Basic information
- Standard SMILES
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(OC(C)C)cc3)oc2C)cc1C)C(=O)OC- InChIKey
QCPPDMGDUQQRJU-VWLOTQADSA-N- Molecular formula
- C27H33NO6
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.23078777
Names & identifiers
- Preferred name
- (S)-2-ethoxy-3-{4-[2-(4-isopropoxy-phenyl)-5-methyl-oxazol-4-ylmethoxy]-2-methyl-phenyl}-propionic acid methyl ester
- IUPAC
- methyl (2S)-2-ethoxy-3-[2-methyl-4-[[5-methyl-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoate
Names & synonyms
SCHEMBL5015946QCPPDMGDUQQRJU-VWLOTQADSA-N(S)-2-ethoxy-3-{4-[2-(4-isopropoxy-phenyl)-5-methyl-oxazol-4-ylmethoxy]-2-methyl-phenyl}-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69279907
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 608
Related reactions
4 records
Compound notes
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