Basic information
- Standard SMILES
CCOC(=O)CCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OCC- InChIKey
KKSLBRPYHGQRDU-UHFFFAOYSA-N- Molecular formula
- C17H23NO7
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-[(4-ethoxy-1,4-dioxobutyl)amino]benzoic acid ethyl ester
- IUPAC
- ethyl 2-[(4-ethoxy-4-oxobutanoyl)amino]-4,5-dimethoxybenzoate
Names & synonyms
SCHEMBL3369547KKSLBRPYHGQRDU-UHFFFAOYSA-N4,5-dimethoxy-2-[(4-ethoxy-1,4-dioxobutyl)amino]benzoic acid ethyl ester
Database identifiers
- PubChem CID
- 68616005
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
3 records
Compound notes
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