(RS)-4-[2-cyano-5-(3-pyridylmethoxy)-phenoxy]-4-(2,3-dimethylphenyl)butanoic acid

HCID 22010143
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Basic information

Standard SMILES
Cc1cccc(C(CCC(=O)O)Oc2cc(OCc3cccnc3)ccc2C#N)c1C
InChIKey
QRMJHULGPIPVMZ-UHFFFAOYSA-N
Molecular formula
C25H24N2O4
Average molar mass
416.5 g/mol

Names & identifiers

Preferred name
(RS)-4-[2-cyano-5-(3-pyridylmethoxy)-phenoxy]-4-(2,3-dimethylphenyl)butanoic acid
IUPAC
4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2,3-dimethylphenyl)butanoic acid

Names & synonyms

SCHEMBL7909003QRMJHULGPIPVMZ-UHFFFAOYSA-N(RS)-4-[2-cyano-5-(3-pyridylmethoxy)-phenoxy]-4-(2,3-dimethylphenyl)butanoic acid

Database identifiers

PubChem CID
22010143

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
31

Related reactions

2 records
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Compound notes

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