(dicyclohexylamino) 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoate

Systemtic Name: (dicyclohexylamino) 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoate Openeye Name: (dicyclohexylamino) 2-(4-isopropylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoate CAS Name: 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoic acid (dicyclohexylamino) ester IUPAC Name: (dicyclohexylamino) 2-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)phenyl]propanoate Traditional Name: 2-(4-isopropylphenoxy)-3-[2-(trifluoromethyl)phenyl]propionic acid (dicyclohexylamino) ester Formula: C31H40F3NO3 MolecularWeight: 531.64941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC(CC2=CC=CC=C2C(F)(F)F)C(=O)ON(C3CCCCC3)C4CCCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC(CC2=CC=CC=C2C(F)(F)F)C(=O)ON(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C31H40F3NO3/c1-22(2)23-17-19-27(20-18-23)37-29(21-24-11-9-10-16-28(24)31(32,33)34)30(36)38-35(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h9-11,16-20,22,25-26,29H,3-8,12-15,21H2,1-2H3