Dicyclohexylammonium 4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

HCID 22010329
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Basic information

Standard SMILES
C1CCC([NH2+]C2CCCCC2)CC1.Cc1ccccc1C(CCC(=O)[O-])Oc1cc(OCc2cccnc2)ccc1C#N
InChIKey
DQLOVSBQQJMCID-UHFFFAOYSA-N
Molecular formula
C36H45N3O4
Average molar mass
583.8 g/mol

Names & identifiers

Preferred name
Dicyclohexylammonium 4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate
IUPAC
4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate;dicyclohexylazanium

Names & synonyms

DQLOVSBQQJMCID-UHFFFAOYSA-Ndicyclohexylammonium 4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-4-(2-methylphenyl)butanoate

Database identifiers

PubChem CID
22010329

Properties

Computed structural properties

Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
43

Related reactions

1 records
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Compound notes

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