Basic information
- Standard SMILES
CCOC(=O)C1=C(C)NC(CC)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1OCCCCN1C(=O)c2ccccc2C1=O- InChIKey
WKADUEPEEMUPBY-UHFFFAOYSA-N- Molecular formula
- C32H35N3O9
- Average molar mass
- 605.6 g/mol
Names & identifiers
- Preferred name
- Diethyl 2-ethyl-4-[2-(4-phthalimidobutoxy)-5-nitrophenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-[2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-5-nitrophenyl]-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL9824964WKADUEPEEMUPBY-UHFFFAOYSA-Ndiethyl 2-ethyl-4-[2-(4-phthalimidobutoxy)-5-nitrophenyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 20151538
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
2 records
Compound notes
Loading…