Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21- InChIKey
FWSMNDBQDNEBBO-SUMWQHHRSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- cis-1-(4-Methoxy-benzoyl)-2-methyl-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid methyl ester
- IUPAC
- methyl (2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
Names & synonyms
SCHEMBL1802458FWSMNDBQDNEBBO-SUMWQHHRSA-Ncis-1-(4-methoxy-benzoyl)-2-methyl-1,2,3,4-tetrahydro-quinoline-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58732829
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
2 records
Compound notes
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