Basic information
- Standard SMILES
COCCCOc1ccc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCOCc4ccccc4OC)cc3)cc2n1- InChIKey
HKLGOZWCUOGADG-UHFFFAOYSA-N- Molecular formula
- C41H52N2O8
- Average molar mass
- 700.9 g/mol
- Monoisotopic mass
- 700.37236662
Names & identifiers
- Preferred name
- tert-Butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(3-methoxypropoxy)quinolin-7-ylmethoxy]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-[[2-(3-methoxypropoxy)quinolin-7-yl]methoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3078619HKLGOZWCUOGADG-UHFFFAOYSA-Ntert-Butyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[2-(3-methoxypropoxy)quinolin-7-ylmethoxy]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68503561
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 987
Related reactions
3 records
Compound notes
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