(3-phenoxyphenyl)methyl 2-propan-2-yl-2-[4-(trifluoromethyloxy)phenyl]but-3-ynoate

Systemtic Name: (3-phenoxyphenyl)methyl 2-propan-2-yl-2-[4-(trifluoromethyloxy)phenyl]but-3-ynoate Openeye Name: (3-phenoxyphenyl)methyl 2-isopropyl-2-[4-(trifluoromethoxy)phenyl]but-3-ynoate CAS Name: 2-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]-3-butynoic acid (3-phenoxyphenyl)methyl ester IUPAC Name: (3-phenoxyphenyl)methyl 2-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]but-3-ynoate Traditional Name: 2-isopropyl-2-[4-(trifluoromethoxy)phenyl]but-3-ynoic acid (3-phenoxybenzyl) ester Formula: C27H23F3O4 MolecularWeight: 468.46433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#C)(C1=CC=C(C=C1)OC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C#C)(C1=CC=C(C=C1)OC(F)(F)F)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H23F3O4/c1-4-26(19(2)3,21-13-15-23(16-14-21)34-27(28,29)30)25(31)32-18-20-9-8-12-24(17-20)33-22-10-6-5-7-11-22/h1,5-17,19H,18H2,2-3H3