Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC(COc1ccc(-c2ccc(C(=O)O)cc2)cc1)CC1CCCCC1- InChIKey
HIWQISJLGLDFRL-UHFFFAOYSA-N- Molecular formula
- C27H35NO5
- Average molar mass
- 453.6 g/mol
Names & identifiers
- Preferred name
- 4-[4-[3-Cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]benzoic acid
- IUPAC
- 4-[4-[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl]benzoic acid
Names & synonyms
SCHEMBL6132648
Database identifiers
- PubChem CID
- 22494622
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 608
Related reactions
1 records
Compound notes
Loading…