heptan-4-yl 2-fluoranyl-4-phenylmethoxy-benzoate

Systemtic Name: heptan-4-yl 2-fluoranyl-4-phenylmethoxy-benzoate Openeye Name: 1-propylbutyl 4-benzyloxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-phenylmethoxybenzoic acid heptan-4-yl ester IUPAC Name: heptan-4-yl 2-fluoro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-fluoro-benzoic acid 1-propylbutyl ester Formula: C21H25FO3 MolecularWeight: 344.419803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

Isomeric SMILES

CCCC(CCC)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

InChI

InChI=1S/C21H25FO3/c1-3-8-17(9-4-2)25-21(23)19-13-12-18(14-20(19)22)24-15-16-10-6-5-7-11-16/h5-7,10-14,17H,3-4,8-9,15H2,1-2H3