Methyl (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
108914-37-0- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC(C)(c3ccccc3)O2)C1c1cccc([N+](=O)[O-])c1- InChIKey
URYVJXHCZHIXBN-UHFFFAOYSA-N- Molecular formula
- C27H28N2O8
- Average molar mass
- 508.5 g/mol
- Monoisotopic mass
- 508.18456586
Names & identifiers
- Preferred name
- Methyl (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 3-O-methyl 5-O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
108914-37-0DTXSID70910920Methyl (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1089177DTXCID701339962SR 14333,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl ester
Database identifiers
- CAS
108914-37-0- PubChem CID
- 3065798
- DTXSID
DTXSID70910920
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 964
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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