[(4S,5S)-5-methyl-3-methylidene-6-oxidanylidene-octan-4-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(4S,5S)-5-methyl-3-methylidene-6-oxidanylidene-octan-4-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S,2S)-2-methyl-1-(1-methylenepropyl)-3-oxo-pentyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(4S,5S)-5-methyl-3-methylene-6-oxooctan-4-yl] ester IUPAC Name: [(4S,5S)-5-methyl-3-methylidene-6-oxooctan-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-2-ethyl-1-[(1S)-2-keto-1-methyl-butyl]allyl] ester Formula: C20H25F3O4 MolecularWeight: 386.40531

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(C(C)C(=O)CC)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

Isomeric SMILES

CCC(=C)[C@H]([C@H](C)C(=O)CC)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

InChI

InChI=1S/C20H25F3O4/c1-6-13(3)17(14(4)16(24)7-2)27-18(25)19(26-5,20(21,22)23)15-11-9-8-10-12-15/h8-12,14,17H,3,6-7H2,1-2,4-5H3/t14-,17-,19?/m1/s1