2-Benzofurancarboxylic acid, 7-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester
Basic information
- CAS
39543-88-9- Standard SMILES
CCOC(=O)c1cc2cccc(OCC(O)CNC(C)C)c2o1- InChIKey
NUUBJYUSRWUKGF-UHFFFAOYSA-N- Molecular formula
- C17H23NO5
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15762283
Names & identifiers
- Preferred name
- 2-Benzofurancarboxylic acid, 7-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester
- IUPAC
- ethyl 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-benzofuran-2-carboxylate
- English name
- 7-[2-Hydroxy-3-(isopropylamino)propoxy]-2-benzofurancarboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
39543-88-92-Benzofurancarboxylic acid, 7-(2-hydroxy-3-(isopropylamino)propoxy)-, ethyl ester2-Carbethoxy-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran7-(2-Hydroxy-3-(isopropylamino)propoxy)-2-benzofurancarboxylic acid ethyl esterRefChem:256366Ethyl 7-(2-hydroxy-3-(isopropylamino)propoxy)benzofuran-2-carboxylateSCHEMBL11754515DTXSID20960152Ethyl 7-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-1-benzofuran-2-carboxylate7-[2-Hydroxy-3-(isopropylamino)propoxy]-2-benzofurancarboxylic acid ethyl ester
Database identifiers
- CAS
39543-88-9- PubChem CID
- 38289
- DTXSID
DTXSID20960152- Nikkaji
- J76.275J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…