(3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butanoate

Systemtic Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butanoate Openeye Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butanoate CAS Name: 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butanoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butanoate Traditional Name: 3-methyl-2-[5-(trifluoromethyl)-1H-inden-2-yl]butyric acid (3-phenoxybenzyl) ester Formula: C28H25F3O3 MolecularWeight: 466.49151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C1)C=CC(=C2)C(F)(F)F)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C1=CC2=C(C1)C=CC(=C2)C(F)(F)F)C(=O)OCC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25F3O3/c1-18(2)26(22-14-20-11-12-23(28(29,30)31)16-21(20)15-22)27(32)33-17-19-7-6-10-25(13-19)34-24-8-4-3-5-9-24/h3-13,15-16,18,26H,14,17H2,1-2H3