[4-(4-octoxyphenyl)phenyl] 3-cyano-3-methyl-heptanoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-3-methyl-heptanoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-3-methyl-heptanoate CAS Name: 3-cyano-3-methylheptanoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-3-methylheptanoate Traditional Name: 3-cyano-3-methyl-enanthic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)CC(C)(CCCC)C#N

InChI

InChI=1S/C29H39NO3/c1-4-6-8-9-10-11-21-32-26-16-12-24(13-17-26)25-14-18-27(19-15-25)33-28(31)22-29(3,23-30)20-7-5-2/h12-19H,4-11,20-22H2,1-3H3