Basic information
- CAS
62751-73-9- Standard SMILES
COc1ccc2c(c1)c(CC(=O)OCOC(=O)c1cccc(C)c1)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
YKZALGKFMFHYHE-UHFFFAOYSA-N- Molecular formula
- C28H24ClNO6
- Average molar mass
- 505.9 g/mol
- Monoisotopic mass
- 505.1292152
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, ((3-methylbenzoyl)oxy)methyl ester
- IUPAC
- [2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxymethyl 3-methylbenzoate
Names & synonyms
62751-73-9IMT-31H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, ((3-methylbenzoyl)oxy)methyl esterDTXSID90211825((3-Methylbenzoyl)oxy)methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetateRefChem:239024DTXCID20134316(2-(1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)methyl 3-methylbenzoateSCHEMBL31570804({[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)methyl 3-methylbenzoate
Database identifiers
- CAS
62751-73-9- PubChem CID
- 44152
- DTXSID
DTXSID90211825
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 784
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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