Basic information
- CAS
57846-36-3- Standard SMILES
CCOC(=O)C(C(C)=O)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12- InChIKey
UWTKYHSUMJEHEW-UHFFFAOYSA-N- Molecular formula
- C25H24ClNO6
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.1292152
Names & identifiers
- Preferred name
- Butyric acid, 2-acetyl-4-(1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-acetyl-4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-3-oxobutanoate
- English name
- 2-Acetyl-4-[1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-oxobutyric acid ethyl ester
- Molecular formula
- C25H24ClNO6
- Molecular weight
- 469.91
Names & synonyms
BRN 046330457846-36-3Butyric acid, 2-acetyl-4-(1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)-3-oxo-, ethyl ester5-22-07-00484 (Beilstein Handbook Reference)2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-3-chetobutirrato di etile [Italian]2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-3-chetobutirrato di etileRefChem:331264DTXSID90973431Ethyl 2-acetyl-4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-oxobutanoateDB-3134792-Acetyl-4-[1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl ]-3-oxobutyric acid ethyl ester1H-Indole-3-butanoic acid, α-acetyl-1-(4-chlorobenzoyl)-5-methoxy-2-methyl-β-oxo-, ethyl ester
Show more names
2-Acetyl-4-[1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-3-oxobutyric acid ethyl ester
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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