Methyl 1-benzyl-4-formyl-5-(3-hydroxy-3,3-diphenylprop-1-ynyl)-1H-pyrrole-2-carboxylate

HCID 86664849
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Basic information

Standard SMILES
COC(=O)c1cc(C=O)c(C#CC(O)(c2ccccc2)c2ccccc2)n1Cc1ccccc1
InChIKey
LUJADRPQLGUXRE-UHFFFAOYSA-N
Molecular formula
C29H23NO4
Average molar mass
449.5 g/mol

Names & identifiers

Preferred name
Methyl 1-benzyl-4-formyl-5-(3-hydroxy-3,3-diphenylprop-1-ynyl)-1H-pyrrole-2-carboxylate
IUPAC
methyl 1-benzyl-4-formyl-5-(3-hydroxy-3,3-diphenylprop-1-ynyl)pyrrole-2-carboxylate

Names & synonyms

SCHEMBL2684871LUJADRPQLGUXRE-UHFFFAOYSA-NMethyl 1-benzyl-4-formyl-5-(3-hydroxy-3,3-diphenylprop-1-ynyl)-1H-pyrrole-2-carboxylate

Database identifiers

PubChem CID
86664849

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
68.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
34

Related reactions

8 records
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Compound notes

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