Basic information
- CAS
57846-34-1- Standard SMILES
CCOC(=O)C(C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12)C(=O)OCC- InChIKey
HLEVUODDKUBNNF-UHFFFAOYSA-N- Molecular formula
- C26H26ClNO7
- Average molar mass
- 499.9 g/mol
- Monoisotopic mass
- 499.1397799
Names & identifiers
- Preferred name
- Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, diethyl ester
- IUPAC
- diethyl 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]propanedioate
- English name
- [[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]malonic acid diethyl ester
- Molecular formula
- C26H26ClNO7
- Molecular weight
- 499.94
Names & synonyms
BRN 0465985Malonic acid, ((1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)-, diethyl ester57846-34-1DTXSID902065595-22-07-00519 (Beilstein Handbook Reference)((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)acetyl)malonic acid diethyl ester2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-malonato dietilico [Italian]2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-malonato dietilicoRefChem:351827DTXCID70129050diethyl {[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}propanedioate[[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]malonic acid diethyl ester
Show more names
Propanedioic acid, 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]-, 1,3-diethyl ester
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 764
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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