Basic information
- Standard SMILES
CC(C)c1nc2c(c(I)c1[C@@H](O)c1ccc(C(C)(C)C#N)cc1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2- InChIKey
BGMQVMXXKKELSL-FIPFOOKPSA-N- Molecular formula
- C31H45IN2O2Si
- Average molar mass
- 632.7 g/mol
- Monoisotopic mass
- 632.2295
Names & identifiers
- Preferred name
- 2-(4-((S)-((S)-5-(tert-butyldimethylsilyloxy)-4-iodo-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(hydroxy)methyl)phenyl)-2-methylpropanenitrile
- IUPAC
- 2-[4-[(S)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-hydroxymethyl]phenyl]-2-methylpropanenitrile
Names & synonyms
SCHEMBL663723BGMQVMXXKKELSL-FIPFOOKPSA-N2-(4-((S)-((S)-5-(tert-butyldimethylsilyloxy)-4-iodo-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(hydroxy)methyl)phenyl)-2-methylpropanenitrile
Database identifiers
- PubChem CID
- 66762162
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 834
Related reactions
1 records
Compound notes
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