Basic information
- Standard SMILES
CCOc1cc(Nc2cccc(C(=O)OC)c2C(=O)OC)ccc1OC- InChIKey
GKSGUNUFUPZNNG-UHFFFAOYSA-N- Molecular formula
- C19H21NO6
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.13688739
Names & identifiers
- Preferred name
- 3-(3-Ethoxy-4-methoxyphenylamino)phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-(3-ethoxy-4-methoxyanilino)benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL1964587GKSGUNUFUPZNNG-UHFFFAOYSA-N3-(3-Ethoxy-4-methoxyphenylamino)phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 58307201
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
3 records
Compound notes
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