Basic information
- Standard SMILES
COC(=O)C(CN1C(=O)c2ccc3ccccc3c2C1=O)C1(C)OCCO1- InChIKey
GJSWPNDIPQLCTE-UHFFFAOYSA-N- Molecular formula
- C20H19NO6
- Average molar mass
- 369.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(1,3-dioxo-1,3-dihydro-benzo[e]isoindol-2-yl)-2-(2-methyl-[1,3]-dioxolan-2-yl)propionate
- IUPAC
- methyl 3-(1,3-dioxobenzo[e]isoindol-2-yl)-2-(2-methyl-1,3-dioxolan-2-yl)propanoate
Names & synonyms
SCHEMBL5997892GJSWPNDIPQLCTE-UHFFFAOYSA-Nmethyl 3-(1,3-dioxo-1,3-dihydro-benzo[e]isoindol-2-yl)-2-(2-methyl-[1,3]-dioxolan-2-yl)propionatemethyl 3-(1,3-dioxo-1,3-dihydro-benzo[e]isoindol-2-yl)-2-(2-methyl-[1,3]dioxolan-2-yl)propionate
Database identifiers
- PubChem CID
- 21982268
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 628
Related reactions
1 records
Compound notes
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