1-cyanoethyl 4-(3-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: 1-cyanoethyl 4-(3-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: 1-cyanoethyl 4-(3-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(3-fluoro-4-octoxyphenyl)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(3-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(3-fluoro-4-octoxy-phenyl)benzoic acid 1-cyanoethyl ester Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C#N)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C#N)F

InChI

InChI=1S/C24H28FNO3/c1-3-4-5-6-7-8-15-28-23-14-13-21(16-22(23)25)19-9-11-20(12-10-19)24(27)29-18(2)17-26/h9-14,16,18H,3-8,15H2,1-2H3