3-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl ester

HCID 59370331

Basic information

Standard SMILES
CC(OC(=O)CCOc1ccccc1N(C)C(=O)c1ccc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)c1)OC(=O)OC1CCCCC1
InChIKey
CTKIAOPHZYRBRB-UHFFFAOYSA-N
Molecular formula
C33H31ClF3N3O7
Average molar mass
674.1 g/mol

Names & identifiers

Preferred name
3-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl ester
IUPAC
1-cyclohexyloxycarbonyloxyethyl 3-[2-[[4-chloro-3-[4-cyano-6-(trifluoromethyl)-3-pyridinyl]benzoyl]-methylamino]phenoxy]propanoate

Names & synonyms

3-(2-{[4-Chloro-3-(4-cyano-6-trifluoromethyl-pyridin-3-yl)-benzoyl]-methyl-amino}-phenoxy)-propionic acid 1-cyclohexyloxycarbonyloxy-ethyl esterSCHEMBL3338302SCHEMBL31683687

Database identifiers

PubChem CID
59370331

Properties

Computed structural properties

XLogP
7.2
Topological polar surface area
128 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
12
Rotatable bonds
13
Heavy atoms
47

Related reactions

5 records

Compound notes

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