RefChem:1085095
3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ethyl prop-2-en-1-yl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|Ethyl 2-propenyl 2,6-dimethyl-4-(2-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate|3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-chlorophenyl)-2,6-dimethyl-, ethyl 2-propenyl ester|2,6-dimethyl-4-(2'-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-ethyl ester-5-allyl ester|3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate|4-(2-Chloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-allyl ester 5-ethyl ester
| Molecular Formula | C20H22ClNO4 |
|---|---|
| Molecular Weight | 375.12375 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 375.12375 |
| Monoisotopic Mass | 375.12375 |
| Heavy Atoms | 26 |
| Complexity | 638.0 |
Chemical Identifiers
| CAS Number | 518-06-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OCC=C)C)C |
| InChIKey | IUNHNUXLUKQDPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:1085095 (CAS 518-06-9), with molecular formula C20H22ClNO4 and molecular weight 375.12375 g/mol. IUPAC: 3-O-ethyl 5-O-prop-2-enyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
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