[cyano-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]methyl] 3-methyl-2-propan-2-yl-pent-4-ynoate

Systemtic Name: [cyano-[2-fluoranyl-5-(4-fluoranylphenoxy)phenyl]methyl] 3-methyl-2-propan-2-yl-pent-4-ynoate Openeye Name: [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] 2-isopropyl-3-methyl-pent-4-ynoate CAS Name: 3-methyl-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] 3-methyl-2-propan-2-ylpent-4-ynoate Traditional Name: 2-isopropyl-3-methyl-pent-4-ynoic acid [cyano-[2-fluoro-5-(4-fluorophenoxy)phenyl]methyl] ester Formula: C23H21F2NO3 MolecularWeight: 397.414546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21F2NO3/c1-5-15(4)22(14(2)3)23(27)29-21(13-26)19-12-18(10-11-20(19)25)28-17-8-6-16(24)7-9-17/h1,6-12,14-15,21-22H,2-4H3