(4-cyano-3-fluoranyl-phenyl) 4-[4-(heptoxymethyl)cyclohexyl]benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[4-(heptoxymethyl)cyclohexyl]benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[4-(heptoxymethyl)cyclohexyl]benzoate CAS Name: 4-[4-(heptoxymethyl)cyclohexyl]benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[4-(heptoxymethyl)cyclohexyl]benzoate Traditional Name: 4-[4-(heptoxymethyl)cyclohexyl]benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C28H34FNO3 MolecularWeight: 451.572863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCOCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C28H34FNO3/c1-2-3-4-5-6-17-32-20-21-7-9-22(10-8-21)23-11-13-24(14-12-23)28(31)33-26-16-15-25(19-30)27(29)18-26/h11-16,18,21-22H,2-10,17,20H2,1H3