Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
OHTHLBXNTUGIIM-UHFFFAOYSA-N- Molecular formula
- C26H27N3O8
- Average molar mass
- 509.5 g/mol
Names & identifiers
- Preferred name
- 3-{2-[4-(Acetylamino)phenoxy]ethyl} 5-methyl 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- IUPAC
- 5-O-[2-(4-acetamidophenoxy)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
3-{2-[4-(acetylamino)phenoxy]ethyl} 5-methyl 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateOHTHLBXNTUGIIM-UHFFFAOYSA-NAQ-405/42300185SCHEMBL106660925-O-[2-(4-acetamidophenoxy)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate2-(4-acetylaminophenoxy)ethyl 2,6-dimethyl-5-methoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 4328865
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 946
Related reactions
1 records
Compound notes
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