methyl (E,2S,3S)-2-methoxy-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate

Systemtic Name: methyl (E,2S,3S)-2-methoxy-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate Openeye Name: methyl (E,2S,3S)-7-benzyloxy-2-methoxy-3-(trifluoromethyl)hept-4-enoate CAS Name: (E,2S,3S)-2-methoxy-7-phenylmethoxy-3-(trifluoromethyl)-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2S,3S)-2-methoxy-7-phenylmethoxy-3-(trifluoromethyl)hept-4-enoate Traditional Name: (E,2S,3S)-7-benzoxy-2-methoxy-3-(trifluoromethyl)hept-4-enoic acid methyl ester Formula: C17H21F3O4 MolecularWeight: 346.34145

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C=CCCOCC1=CC=CC=C1)C(F)(F)F)C(=O)OC

Isomeric SMILES

CO[C@@H]([C@H](/C=C/CCOCC1=CC=CC=C1)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H21F3O4/c1-22-15(16(21)23-2)14(17(18,19)20)10-6-7-11-24-12-13-8-4-3-5-9-13/h3-6,8-10,14-15H,7,11-12H2,1-2H3/b10-6+/t14-,15-/m0/s1