Basic information
- Standard SMILES
CCOC(=O)C1=C(COCC=O)NC(C)=C(C(=O)OC)C1c1ccccc1Cl- InChIKey
AQLXWDNEDZZOIN-UHFFFAOYSA-N- Molecular formula
- C20H22ClNO6
- Average molar mass
- 407.8 g/mol
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-2-methyl-6-(2-oxo-ethoxymethyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid 5-ethyl 3-methyl ester
- IUPAC
- 5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-methyl-6-(2-oxoethoxymethyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7348174AQLXWDNEDZZOIN-UHFFFAOYSA-N4-(2-Chlorophenyl)-2-methyl-6-(2-oxo-ethoxymethyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid 5-ethyl 3-methyl ester
Database identifiers
- PubChem CID
- 86752180
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Related reactions
2 records
Compound notes
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