3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-diphenyl-1,3-dioxolan-4-yl)methyl methyl ester
Basic information
- CAS
108914-38-1- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC(c3ccccc3)(c3ccccc3)O2)C1c1cccc([N+](=O)[O-])c1- InChIKey
WPBOUGKWBNHOEQ-UHFFFAOYSA-N- Molecular formula
- C32H30N2O8
- Average molar mass
- 570.6 g/mol
- Monoisotopic mass
- 570.20021592
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-diphenyl-1,3-dioxolan-4-yl)methyl methyl ester
- IUPAC
- 5-O-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
108914-38-13,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, (2,2-diphenyl-1,3-dioxolan-4-yl)methyl methyl esterRefChem:1066016SR 1457DTXSID30910921(2,2-Diphenyl-1,3-dioxolan-4-yl)methyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
108914-38-1- PubChem CID
- 3065799
- DTXSID
DTXSID30910921
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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