Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl)amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate dihydrochloride
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Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(n1)CCCC2NCCc1ccccc1OCc1ccc(C(C)(C)C)cc1.Cl.Cl- InChIKey
PSSFBAJRADTXLF-UHFFFAOYSA-N- Molecular formula
- C31H40Cl2N2O3
- Average molar mass
- 559.6 g/mol
- Monoisotopic mass
- 558.2415985
Names & identifiers
- Preferred name
- Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl)amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate dihydrochloride
- IUPAC
- ethyl 5-[2-[2-[(4-tert-butylphenyl)methoxy]phenyl]ethylamino]-5,6,7,8-tetrahydroquinoline-2-carboxylate;dihydrochloride
Names & synonyms
SCHEMBL15437166PSSFBAJRADTXLF-UHFFFAOYSA-Nethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl)amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate dihydrochloride
Database identifiers
- PubChem CID
- 89940797
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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