octan-2-yl 2-fluoranyl-4-phenylmethoxy-benzoate

Systemtic Name: octan-2-yl 2-fluoranyl-4-phenylmethoxy-benzoate Openeye Name: 1-methylheptyl 4-benzyloxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-phenylmethoxybenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-fluoro-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-fluoro-benzoic acid 1-methylheptyl ester Formula: C22H27FO3 MolecularWeight: 358.446383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)F

InChI

InChI=1S/C22H27FO3/c1-3-4-5-7-10-17(2)26-22(24)20-14-13-19(15-21(20)23)25-16-18-11-8-6-9-12-18/h6,8-9,11-15,17H,3-5,7,10,16H2,1-2H3