methyl 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate

Systemtic Name: methyl 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate Openeye Name: methyl 4-(4-benzyloxyphenyl)-3-[4-(trifluoromethyl)thiazol-2-yl]butanoate CAS Name: 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-2-thiazolyl]butanoic acid methyl ester IUPAC Name: methyl 4-(4-phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoate Traditional Name: 4-(4-benzoxyphenyl)-3-[4-(trifluoromethyl)thiazol-2-yl]butyric acid methyl ester Formula: C22H20F3NO3S MolecularWeight: 435.45931

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=NC(=CS3)C(F)(F)F

Isomeric SMILES

COC(=O)CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C3=NC(=CS3)C(F)(F)F

InChI

InChI=1S/C22H20F3NO3S/c1-28-20(27)12-17(21-26-19(14-30-21)22(23,24)25)11-15-7-9-18(10-8-15)29-13-16-5-3-2-4-6-16/h2-10,14,17H,11-13H2,1H3