3-Benzyl 5-(2-cyanoethyl) 4-(3-chlorophenyl)-2-(2-cyclohexylethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- Standard SMILES
CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCc2ccccc2)=C(COCCC2CCCCC2)N1- InChIKey
JZWYGMFPKLOJBU-UHFFFAOYSA-N- Molecular formula
- C33H37ClN2O5
- Average molar mass
- 577.1 g/mol
- Monoisotopic mass
- 576.2391
Names & identifiers
- Preferred name
- 3-Benzyl 5-(2-cyanoethyl) 4-(3-chlorophenyl)-2-(2-cyclohexylethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-benzyl 5-O-(2-cyanoethyl) 4-(3-chlorophenyl)-2-(2-cyclohexylethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL6929233JZWYGMFPKLOJBU-UHFFFAOYSA-N3-benzyl 5-(2-cyanoethyl) 4-(3-chlorophenyl)-2-(2-cyclohexylethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 15540596
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
1 records
Compound notes
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