Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate

HCID 9949366
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Basic information

Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ccc(C(=O)c2ccccc2)[nH]1
InChIKey
GNHABAJJEFVNQW-UHFFFAOYSA-N
Molecular formula
C18H19NO5
Average molar mass
329.3 g/mol

Names & identifiers

Preferred name
Diethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate
IUPAC
diethyl 2-(5-benzoyl-1H-pyrrol-2-yl)propanedioate

Names & synonyms

144710-35-0SCHEMBL9091743GNHABAJJEFVNQW-UHFFFAOYSA-Ndiethyl 2-(5-benzoyl-1H-pyrrol-2-yl)malonatediethyl (5-benzoylpyrrol-2-yl)methane-dicarboxylate

Database identifiers

PubChem CID
9949366

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
85.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
24

Related reactions

4 records
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Compound notes

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