Basic information
- CAS
57846-37-4- Standard SMILES
CCOC(=O)C(C#N)C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12- InChIKey
ZPYNKCHFZOOQFZ-UHFFFAOYSA-N- Molecular formula
- C24H21ClN2O5
- Average molar mass
- 452.9 g/mol
- Monoisotopic mass
- 452.1138995
Names & identifiers
- Preferred name
- Butyric acid, 4-(1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)-2-cyano-3-oxo-, ethyl ester
- IUPAC
- ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate
- English name
- 4-[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-cyano-3-oxobutyric acid ethyl ester
- Molecular formula
- C24H21ClN2O5
- Molecular weight
- 452.89
Names & synonyms
57846-37-4Butyric acid, 4-(1-(p-chlorobenzoyl)-5-methoxy-2-methyl-3-indolyl)-2-cyano-3-oxo-, ethyl ester2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-cianacetato dietile [Italian]2-(1-p-Clorobenzoil-2-metil-5-metossi-3-indolilacetil)-cianacetato dietileRefChem:331289DTXSID50973432Ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-cyano-3-oxobutanoate1H-Indole-3-butanoic acid, 1-(4-chlorobenzoyl)-α-cyano-5-methoxy-2-methyl-β-oxo-, ethyl ester4-[1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-2-cyano-3-oxobutyric acid ethyl ester
Database identifiers
- CAS
57846-37-4- PubChem CID
- 42592
- DTXSID
DTXSID50973432- Nikkaji
- J65.866I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 757
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…