Basic information
- CAS
30544-62-8- Standard SMILES
COC(=O)CCCN(C(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1- InChIKey
ACJGRBTWFMIBOD-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO4
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.1080858
Names & identifiers
- Preferred name
- Clanobutin methyl derivative
- IUPAC
- methyl 4-(N-(4-chlorobenzoyl)-4-methoxyanilino)butanoate
Names & synonyms
Clanobutin methyl derivativeACJGRBTWFMIBOD-UHFFFAOYSA-NDTXSID20118932630544-62-8Methyl 4-[(4-chlorobenzoyl)-4-methoxyanilino]butanoate #Methyl 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butanoate
Database identifiers
- CAS
30544-62-8- PubChem CID
- 587261
- DTXSID
DTXSID201189326
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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