Basic information
- Standard SMILES
CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@H](NC(=O)OCc2ccccc2)C[C@@H]1CC- InChIKey
HRRMUOYEKBOPRT-PKOBYXMFSA-N- Molecular formula
- C23H25F3N2O4
- Average molar mass
- 450.4 g/mol
- Monoisotopic mass
- 450.17664177
Names & identifiers
- Preferred name
- cis-4-benzyloxycarbonylamino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
- IUPAC
- ethyl (2S,4R)-2-ethyl-4-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
Names & synonyms
cis-4-benzyloxycarbonylamino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl esterSCHEMBL5815459cis4-benzyioxycarbonylamino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69578494
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 639
Related reactions
11 records
Compound notes
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