methyl 4-[4-(1-cyanocyclopropyl)-2-fluoranyl-phenyl]benzoate

Systemtic Name: methyl 4-[4-(1-cyanocyclopropyl)-2-fluoranyl-phenyl]benzoate Openeye Name: methyl 4-[4-(1-cyanocyclopropyl)-2-fluoro-phenyl]benzoate CAS Name: 4-[4-(1-cyanocyclopropyl)-2-fluorophenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-cyanocyclopropyl)-2-fluorophenyl]benzoate Traditional Name: 4-[4-(1-cyanocyclopropyl)-2-fluoro-phenyl]benzoic acid methyl ester Formula: C18H14FNO2 MolecularWeight: 295.307663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3(CC3)C#N)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)C3(CC3)C#N)F

InChI

InChI=1S/C18H14FNO2/c1-22-17(21)13-4-2-12(3-5-13)15-7-6-14(10-16(15)19)18(11-20)8-9-18/h2-7,10H,8-9H2,1H3