3-Isopropyl 5-methyl 4-(2-chlorophenyl)-2-methyl-6-(3-oxo-1-butenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
Basic information
- CAS
74655-31-5- Standard SMILES
COC(=O)C1=C(/C=C/C(C)=O)NC(C)=C(C(=O)OC(C)C)C1c1ccccc1Cl- InChIKey
RHMYPSDWHYSHHB-ZHACJKMWSA-N- Molecular formula
- C22H24ClNO5
- Average molar mass
- 417.9 g/mol
- Monoisotopic mass
- 417.1343006
Names & identifiers
- Preferred name
- 3-Isopropyl 5-methyl 4-(2-chlorophenyl)-2-methyl-6-(3-oxo-1-butenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- 5-O-methyl 3-O-propan-2-yl 4-(2-chlorophenyl)-2-methyl-6-[(E)-3-oxobut-1-enyl]-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
74655-31-5NSC362409NSC 3624093-Isopropyl 5-methyl 4-(2-chlorophenyl)-2-methyl-6-(3-oxo-1-butenyl)-1,4-dihydro-3,5-pyridinedicarboxylateNSC-362409O3-isopropyl O5-methyl 4-(2-chlorophenyl)-2-methyl-6-[(E)-3-oxobut-1-enyl]-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
74655-31-5- PubChem CID
- 5914280
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 765
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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