Basic information
- Standard SMILES
COC(=O)CCCOc1cc(OC)cc(C(=O)NC2CCN(Cc3cc(OC(C)C)cc(OC(C)C)c3)CC2)c1- InChIKey
BBQUIQBQGVGGCS-UHFFFAOYSA-N- Molecular formula
- C31H44N2O7
- Average molar mass
- 556.7 g/mol
- Monoisotopic mass
- 556.31485175
Names & identifiers
- Preferred name
- 4-{3-[1-(3,5-Diisopropoxy-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-butyric acid methyl ester
- IUPAC
- methyl 4-[3-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]carbamoyl]-5-methoxyphenoxy]butanoate
Names & synonyms
SCHEMBL2962718BBQUIQBQGVGGCS-UHFFFAOYSA-N4-{3-[1-(3,5-Diisopropoxy-benzyl)-piperidin-4-ylcarbamoyl]-5-methoxy-phenoxy}-butyric acid methyl ester
Database identifiers
- PubChem CID
- 68458698
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 738
Related reactions
2 records
Compound notes
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