2-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylamino]-isonicotinic acid methyl ester

HCID 68534962
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Basic information

Standard SMILES
CCCc1c(OCc2cccc(Nc3cc(C(=O)OC)ccn3)c2)ccc(C(C)=O)c1O
InChIKey
HCHANXYJLSWVET-UHFFFAOYSA-N
Molecular formula
C25H26N2O5
Average molar mass
434.5 g/mol
Monoisotopic mass
434.18417193

Names & identifiers

Preferred name
2-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylamino]-isonicotinic acid methyl ester
IUPAC
methyl 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]pyridine-4-carboxylate

Names & synonyms

SCHEMBL3163991HCHANXYJLSWVET-UHFFFAOYSA-N2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylamino]-isonicotinic acid methyl ester

Database identifiers

PubChem CID
68534962

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
97.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
32

Related reactions

4 records
New reaction record

Compound notes

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2-[3-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenylamino]-isonicotinic acid methyl ester (HCID 68534962)｜Huagongshe