rac-Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl) {2-[4-(methoxycarbonyl)phenyl]ethyl}-amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(n1)CCCC2N(CCc1ccc(C(=O)OC)cc1)CCc1ccccc1OCc1ccc(C(C)(C)C)cc1- InChIKey
BRPSNZCFAIGYKP-UHFFFAOYSA-N- Molecular formula
- C41H48N2O5
- Average molar mass
- 648.8 g/mol
- Monoisotopic mass
- 648.35632264
Names & identifiers
- Preferred name
- rac-Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl) {2-[4-(methoxycarbonyl)phenyl]ethyl}-amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 5-[2-[2-[(4-tert-butylphenyl)methoxy]phenyl]ethyl-[2-(4-methoxycarbonylphenyl)ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
Names & synonyms
SCHEMBL15437976BRPSNZCFAIGYKP-UHFFFAOYSA-Nrac-Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl) {2-[4-(methoxycarbonyl)phenyl]ethyl}-amino]-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-[(2-{2-[(4-tert-butylbenzyl)oxy]phenyl}ethyl){2-[4-(methoxycarbonyl)phenyl]ethyl}-amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
Database identifiers
- PubChem CID
- 89941256
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 982
Related reactions
2 records
Compound notes
Loading…