Basic information
- Standard SMILES
CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCC2CC2c2ccccc2)=C(C)N1- InChIKey
IGQAVLDQUUIMBU-UHFFFAOYSA-N- Molecular formula
- C28H27ClN2O4
- Average molar mass
- 491 g/mol
Names & identifiers
- Preferred name
- 5-(2-Phenylcyclopropylmethyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine 3,5-dicarboxylate
- IUPAC
- 3-O-(2-cyanoethyl) 5-O-[(2-phenylcyclopropyl)methyl] 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL5854938IGQAVLDQUUIMBU-UHFFFAOYSA-N5-(2-phenylcyclopropylmethyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine 3,5-dicarboxylate
Database identifiers
- PubChem CID
- 69589908
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 926
Related reactions
2 records
Compound notes
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