[(3R)-1-cyanodecan-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(3R)-1-cyanodecan-3-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1R)-1-(2-cyanoethyl)octyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(3R)-1-cyanodecan-3-yl] ester IUPAC Name: [(3R)-1-cyanodecan-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1R)-1-(2-cyanoethyl)octyl] ester Formula: C21H28F3NO3 MolecularWeight: 399.44713

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC#N)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28F3NO3/c1-3-4-5-6-10-14-18(15-11-16-25)28-19(26)20(27-2,21(22,23)24)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-15H2,1-2H3/t18-,20?/m1/s1