(E,2S)-2-[(4-fluorophenyl)methyl]-6-methyl-hept-4-enoic acid

Systemtic Name: (E,2S)-2-[(4-fluorophenyl)methyl]-6-methyl-hept-4-enoic acid Openeye Name: (E,2S)-2-[(4-fluorophenyl)methyl]-6-methyl-hept-4-enoic acid CAS Name: (E,2S)-2-[(4-fluorophenyl)methyl]-6-methyl-4-heptenoic acid IUPAC Name: (E,2S)-2-[(4-fluorophenyl)methyl]-6-methylhept-4-enoic acid Traditional Name: (E,2S)-2-(4-fluorobenzyl)-6-methyl-hept-4-enoic acid Formula: C15H19FO2 MolecularWeight: 250.308563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=CCC(CC1=CC=C(C=C1)F)C(=O)O

Isomeric SMILES

CC(C)/C=C/C[C@@H](CC1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C15H19FO2/c1-11(2)4-3-5-13(15(17)18)10-12-6-8-14(16)9-7-12/h3-4,6-9,11,13H,5,10H2,1-2H3,(H,17,18)/b4-3+/t13-/m0/s1