[4-(4-octoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO3/c1-4-6-8-9-10-11-21-31-25-16-12-23(13-17-25)24-14-18-26(19-15-24)32-27(30)28(3,22-29)20-7-5-2/h12-19H,4-11,20-21H2,1-3H3