Basic information
- Standard SMILES
CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCCCCc2ccccc2)=C(C)N1- InChIKey
GSRKUCLQLNXNOL-UHFFFAOYSA-N- Molecular formula
- C28H29ClN2O4
- Average molar mass
- 493 g/mol
Names & identifiers
- Preferred name
- 5-(4-Phenylbutyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine 3,5-dicarboxylate
- IUPAC
- 5-O-(2-cyanoethyl) 3-O-(4-phenylbutyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL5855231GSRKUCLQLNXNOL-UHFFFAOYSA-N5-(4-phenylbutyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine 3,5-dicarboxylate
Database identifiers
- PubChem CID
- 69589963
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 865
Related reactions
2 records
Compound notes
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