[cyano-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]methyl] 2-propan-2-ylpent-4-ynoate

Systemtic Name: [cyano-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]methyl] 2-propan-2-ylpent-4-ynoate Openeye Name: [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] 2-isopropylpent-4-ynoate CAS Name: 2-propan-2-yl-4-pentynoic acid [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] ester IUPAC Name: [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] 2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropylpent-4-ynoic acid [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] ester Formula: C22H19F2NO3 MolecularWeight: 383.387966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#C)C(=O)OC(C#N)C1=C(C=CC(=C1)OC2=CC=C(C=C2)F)F

Isomeric SMILES

CC(C)C(CC#C)C(=O)OC(C#N)C1=C(C=CC(=C1)OC2=CC=C(C=C2)F)F

InChI

InChI=1S/C22H19F2NO3/c1-4-5-18(14(2)3)22(26)28-21(13-25)19-12-17(10-11-20(19)24)27-16-8-6-15(23)7-9-16/h1,6-12,14,18,21H,5H2,2-3H3