Basic information
- Standard SMILES
Cc1c(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(Cl)cc1C(=O)O- InChIKey
PLRWLYXMZNGAAC-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO5
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.1343006
Names & identifiers
- Preferred name
- 3-((1-(Tert-butoxycarbonyl)piperidin-4-yl)oxy)-5-chloro-2-methylbenzoic acid
- IUPAC
- 5-chloro-2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
Names & synonyms
SCHEMBL15864843PLRWLYXMZNGAAC-UHFFFAOYSA-N3-((1-(tert -butoxycarbonyl)piperidin-4-yl)oxy)-5-chloro-2-methylbenzoic acid3-((1-(tert-butoxycarbonyl)piperidin-4-yl)oxy)-5-chloro-2-methylbenzoic acid
Database identifiers
- PubChem CID
- 90273003
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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