Basic information
- Standard SMILES
CC(C)(C)c1ccc(COc2ccccc2CCN(CCc2ccc(C(=O)O)cc2)C2CCCc3nc(C(=O)O)ccc32)cc1- InChIKey
DAXYSFAWFVMMGV-UHFFFAOYSA-N- Molecular formula
- C38H42N2O5
- Average molar mass
- 606.7 g/mol
Names & identifiers
- Preferred name
- rac-5-{(2-{2-[(4-tert-Butylbenzyl)oxy]phenyl}ethyl)[2-(4-carboxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
- IUPAC
- 5-[2-[2-[(4-tert-butylphenyl)methoxy]phenyl]ethyl-[2-(4-carboxyphenyl)ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
Names & synonyms
SCHEMBL15437550DAXYSFAWFVMMGV-UHFFFAOYSA-Nrac-5-{(2-{2-[(4-tert-Butylbenzyl)oxy]phenyl}ethyl)[2-(4-carboxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylic acid
Database identifiers
- PubChem CID
- 89941018
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 935
Related reactions
1 records
Compound notes
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