methyl 3-[(E)-1-phenylprop-1-enyl]-3-(trifluoromethyl)heptanoate

Systemtic Name: methyl 3-[(E)-1-phenylprop-1-enyl]-3-(trifluoromethyl)heptanoate Openeye Name: methyl 3-[(E)-1-phenylprop-1-enyl]-3-(trifluoromethyl)heptanoate CAS Name: 3-[(E)-1-phenylprop-1-enyl]-3-(trifluoromethyl)heptanoic acid methyl ester IUPAC Name: methyl 3-[(E)-1-phenylprop-1-enyl]-3-(trifluoromethyl)heptanoate Traditional Name: (E)-3-butyl-4-phenyl-3-(trifluoromethyl)hex-4-enoic acid methyl ester Formula: C18H23F3O2 MolecularWeight: 328.36923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CC(=O)OC)(/C(=C/C)/C1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C18H23F3O2/c1-4-6-12-17(18(19,20)21,13-16(22)23-3)15(5-2)14-10-8-7-9-11-14/h5,7-11H,4,6,12-13H2,1-3H3/b15-5+