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Methyl 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methoxyimino]-4-phenylbutanoate

HCID 54035987
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)CCC(=NOCc1ccc(OCc2cn3ccccc3n2)cc1)c1ccccc1
InChIKey
LIYWSTDOCMYULE-UHFFFAOYSA-N
Molecular formula
C26H25N3O4
Average molar mass
443.5 g/mol
Monoisotopic mass
443.18450629

Names & identifiers

Preferred name
Methyl 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methoxyimino]-4-phenylbutanoate
IUPAC
methyl 4-[[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methoxyimino]-4-phenylbutanoate

Names & synonyms

SCHEMBL6160097

Database identifiers

PubChem CID
54035987

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
74.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
33
Formal charge
0
Complexity
629

Related reactions

2 records
New reaction record
HRID 175111 reaction equation
HRID 175111As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 308164 reaction equation
HRID 308164As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes