4-{1-[((E)-but-2-enyl)oxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
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Basic information
- Standard SMILES
C/C=C/COC(C)C1=CC(C)(C)N(C(=O)OC(C)(C)C)c2ccc(-c3ccccc3OC)cc21- InChIKey
WURADVZUWDHSLN-MDZDMXLPSA-N- Molecular formula
- C29H37NO4
- Average molar mass
- 463.6 g/mol
Names & identifiers
- Preferred name
- 4-{1-[((E)-but-2-enyl)oxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[1-[(E)-but-2-enoxy]ethyl]-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carboxylate
Names & synonyms
SCHEMBL4702893WURADVZUWDHSLN-MDZDMXLPSA-N4-{1-[((E)-but-2-enyl)oxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 20760331
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 750
Related reactions
2 records
Compound notes
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