Basic information
- Standard SMILES
CCOc1cc(N(CC)CC)ccc1C(=O)c1ccccc1C(=O)O- InChIKey
CPEQFJYBWAAQLE-UHFFFAOYSA-N- Molecular formula
- C20H23NO4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.16270822
Names & identifiers
- Preferred name
- 2-[4-(Diethylamino)-2-ethoxybenzoyl]benzoic acid
- IUPAC
- 2-[4-(diethylamino)-2-ethoxybenzoyl]benzoic acid
Names & synonyms
52830-69-02-[4-(Diethylamino)-2-ethoxybenzoyl]benzoic acidbenzoic acid,2-[4-(diethylamino)-2-ethoxybenzoyl]-SCHEMBL9416209DTXSID10573573CPEQFJYBWAAQLE-UHFFFAOYSA-N2-(2-ethoxy-4-(diethylamino)benzoyl)benzoic acid2-(2-ethoxy-4-(diethylamino)benzoyl)-benzoic acid
Database identifiers
- CAS
52830-69-0- PubChem CID
- 15519332
- DTXSID
DTXSID10573573- Nikkaji
- J1.543.050H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
6 records
Linked notes
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