Basic information
- Standard SMILES
COCCCN1C(=O)CCc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(OCCCCOc4c(C)cccc4OC)cc3)cc21- InChIKey
IGFLIXDNTXHXRB-UHFFFAOYSA-N- Molecular formula
- C42H56N2O8
- Average molar mass
- 716.9 g/mol
- Monoisotopic mass
- 716.40366675
Names & identifiers
- Preferred name
- tert-Butyl 4-{4-[4-(2-methoxy-6-methylphenoxy)butoxy]phenyl}-3-[1-(3-methoxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-ylmethoxy]piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[4-(2-methoxy-6-methylphenoxy)butoxy]phenyl]-3-[[1-(3-methoxypropyl)-2-oxo-3,4-dihydroquinolin-7-yl]methoxy]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3065550IGFLIXDNTXHXRB-UHFFFAOYSA-Ntert-Butyl 4-{4-[4-(2-methoxy-6-methylphenoxy)butoxy]phenyl}-3-[1-(3-methoxypropyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-ylmethoxy]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68499263
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
3 records
Compound notes
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