Basic information
- Standard SMILES
CCOc1cc(C(CC(=O)OC)N2C(=O)c3ccccc3C2=O)ccc1OC- InChIKey
LKZVGVHQSZSUFD-UHFFFAOYSA-N- Molecular formula
- C21H21NO6
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- Methyl 3-phthalimido-3-(3-ethoxy-4-methoxyphenyl)propionate
- IUPAC
- methyl 3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate
Names & synonyms
CHEMBL88475SCHEMBL7746632LKZVGVHQSZSUFD-UHFFFAOYSA-NBDBM50216301methyl 3-phthalimido-3-(3-ethoxy-4-methoxyphenyl)propionate
Database identifiers
- PubChem CID
- 9821373
- ChEMBL
CHEMBL88475
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 569
Related reactions
5 records
Compound notes
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