Methyl 3-[4-({[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)phenyl]propanoate
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Basic information
- Standard SMILES
CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)OC)cc3)c2)c(C)c1- InChIKey
HARMCYSOCNIUBE-UHFFFAOYSA-N- Molecular formula
- C29H35NO4
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-[4-({[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)phenyl]propanoate
- IUPAC
- methyl 3-[4-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methylamino]phenyl]propanoate
Names & synonyms
SCHEMBL3625971HARMCYSOCNIUBE-UHFFFAOYSA-Nmethyl 3-[4-({[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)phenyl]propanoate
Database identifiers
- PubChem CID
- 23157366
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 564
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Related reactions
4 records
Compound notes
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