[cyano-[3-(4-fluoranylphenoxy)phenyl]methyl] 3-methyl-2-prop-1-ynyl-hex-4-ynoate

Systemtic Name: [cyano-[3-(4-fluoranylphenoxy)phenyl]methyl] 3-methyl-2-prop-1-ynyl-hex-4-ynoate Openeye Name: [cyano-[3-(4-fluorophenoxy)phenyl]methyl] 3-methyl-2-prop-1-ynyl-hex-4-ynoate CAS Name: 3-methyl-2-prop-1-ynyl-4-hexynoic acid [cyano-[3-(4-fluorophenoxy)phenyl]methyl] ester IUPAC Name: [cyano-[3-(4-fluorophenoxy)phenyl]methyl] 3-methyl-2-prop-1-ynylhex-4-ynoate Traditional Name: 3-methyl-2-prop-1-ynyl-hex-4-ynoic acid [cyano-[3-(4-fluorophenoxy)phenyl]methyl] ester Formula: C24H20FNO3 MolecularWeight: 389.418903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20FNO3/c1-4-7-17(3)22(8-5-2)24(27)29-23(16-26)18-9-6-10-21(15-18)28-20-13-11-19(25)12-14-20/h6,9-15,17,22-23H,1-3H3