2-Methyl-6-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyloxy}-4-propoxy-benzoic acid
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Basic information
- Standard SMILES
CCCOc1cc(C)c(C(=O)O)c(OCc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)c1- InChIKey
JNQZRXUMVYCNJN-UHFFFAOYSA-N- Molecular formula
- C30H31NO6
- Average molar mass
- 501.6 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-6-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyloxy}-4-propoxy-benzoic acid
- IUPAC
- 2-methyl-6-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methoxy]-4-propoxybenzoic acid
Names & synonyms
SCHEMBL3280355JNQZRXUMVYCNJN-UHFFFAOYSA-N2-methyl-6-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyloxy}-4-propoxy-benzoic acid
Database identifiers
- PubChem CID
- 59263293
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 677
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Related reactions
2 records
Compound notes
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