Basic information
- Standard SMILES
COc1ccccc1-c1ccc2c(c1)C(C(C)O)=CC(C)(C)N2C(=O)OC(C)(C)C.COc1ccccc1-c1ccc2c(c1)C(C(C)OCC1CCCCC1)=CC(C)(C)N2- InChIKey
ZQGURQGDFAXBDE-UHFFFAOYSA-N- Molecular formula
- C52H66N2O6
- Average molar mass
- 815.1 g/mol
Names & identifiers
- Preferred name
- 4-(1-Cyclohexylmethoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline 4-(1-Hydroxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(1-hydroxyethyl)-6-(2-methoxyphenyl)-2,2-dimethylquinoline-1-carboxylate;4-[1-(cyclohexylmethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinoline
Names & synonyms
SCHEMBL4788643ZQGURQGDFAXBDE-UHFFFAOYSA-N4-(1-Cyclohexylmethoxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline 4-(1-Hydroxyethyl)-6-(2-methoxyphenyl)-2,2-dimethyl-2H-quinoline-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69190771
Properties
Computed structural properties
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,230
Related reactions
1 records
Compound notes
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