3-Oxobutan-2-yl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoate

HCID 91075432
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Basic information

Standard SMILES
COc1cc(C=CC(=O)OC(C)C(C)=O)ccc1-n1cnc(C)c1
InChIKey
DRZLYTWGTHNYLV-UHFFFAOYSA-N
Molecular formula
C18H20N2O4
Average molar mass
328.4 g/mol
Monoisotopic mass
328.14230712

Names & identifiers

Preferred name
3-Oxobutan-2-yl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoate
IUPAC
3-oxobutan-2-yl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoate

Database identifiers

PubChem CID
91075432

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
24

Related reactions

1 records
New reaction record

Compound notes

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3-Oxobutan-2-yl 3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoate (HCID 91075432)｜Huagongshe