Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(OCCO)cc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
AKDKZXPSAYBZOO-UHFFFAOYSA-N- Molecular formula
- C26H28N2O8
- Average molar mass
- 496.5 g/mol
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2-hydroxyethoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine
- IUPAC
- 5-O-[2-[4-(2-hydroxyethoxy)phenyl]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10756463AKDKZXPSAYBZOO-UHFFFAOYSA-N2,6-dimethyl-3-methoxycarbonyl-4-(3-nitrophenyl)-5-(2-[4-(2-hydroxyethoxy)phenyl]ethoxycarbonyl)-1,4-dihydropyridine
Database identifiers
- PubChem CID
- 20197643
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 870
Related reactions
5 records
Compound notes
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