Basic information
- Standard SMILES
COc1ccc(-c2nc(COC3CCCC(OCc4cccc(C)c4C(=O)O)C3)c(C)o2)cc1- InChIKey
ZYBRZZCKEGBRNQ-UHFFFAOYSA-N- Molecular formula
- C27H31NO6
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 2-{3-[2-(4-Methoxyphenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic Acid
- IUPAC
- 2-[[3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid
Names & synonyms
SCHEMBL4837430ZYBRZZCKEGBRNQ-UHFFFAOYSA-N2-{3-[2-(4-Methoxyphenyl )-5-methyloxazol4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic Acid2-{3-[2-(4-Methoxyphenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic Acid
Database identifiers
- PubChem CID
- 22493687
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
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