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

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 2-cyano-2-methyl-hexanoate CAS Name: 2-cyano-2-methylhexanoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 2-cyano-2-methylhexanoate Traditional Name: 2-cyano-2-methyl-hexanoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C)(CCCC)C#N

InChI

InChI=1S/C26H33NO3/c1-4-6-8-9-19-29-23-14-10-21(11-15-23)22-12-16-24(17-13-22)30-25(28)26(3,20-27)18-7-5-2/h10-17H,4-9,18-19H2,1-3H3