[4-[4-(4-heptyl-4-isocyano-cyclohexyl)phenyl]phenyl] 2-fluoranyl-2-methyl-heptanoate

Systemtic Name: [4-[4-(4-heptyl-4-isocyano-cyclohexyl)phenyl]phenyl] 2-fluoranyl-2-methyl-heptanoate Openeye Name: [4-[4-(4-heptyl-4-isocyano-cyclohexyl)phenyl]phenyl] 2-fluoro-2-methyl-heptanoate CAS Name: 2-fluoro-2-methylheptanoic acid [4-[4-(4-heptyl-4-isocyanocyclohexyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(4-heptyl-4-isocyanocyclohexyl)phenyl]phenyl] 2-fluoro-2-methylheptanoate Traditional Name: 2-fluoro-2-methyl-enanthic acid [4-[4-(4-heptyl-4-isocyano-cyclohexyl)phenyl]phenyl] ester Formula: C34H46FNO2 MolecularWeight: 519.732943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F)[N+]#[C-]

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C)(CCCCC)F)[N+]#[C-]

InChI

InChI=1S/C34H46FNO2/c1-5-7-9-10-12-24-34(36-4)25-21-30(22-26-34)28-15-13-27(14-16-28)29-17-19-31(20-18-29)38-32(37)33(3,35)23-11-8-6-2/h13-20,30H,5-12,21-26H2,1-3H3