(3R,4R)-3-[1-(2-imidazol-1-yl-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
Basic information
- Standard SMILES
COc1ccccc1COCCCOc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OCc2ccc3c(c2)N(CCn2ccnc2)CCC3)cc1- InChIKey
AWLFFVKLENUCLX-PJKFIHJXSA-N- Molecular formula
- C42H54N4O6
- Average molar mass
- 710.9 g/mol
Names & identifiers
- Preferred name
- (3R,4R)-3-[1-(2-imidazol-1-yl-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (3R,4R)-3-[[1-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5561141AWLFFVKLENUCLX-PJKFIHJXSA-N(3R,4R)-3-[1-(2-imidazol-1-yl-ethyl)-1,2,3,4-tetrahydro-quinolin-7-ylmethoxy]-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69488647
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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