(1-cyano-2-methyl-propyl) 4-(4-octoxyphenyl)benzoate

Systemtic Name: (1-cyano-2-methyl-propyl) 4-(4-octoxyphenyl)benzoate Openeye Name: (1-cyano-2-methyl-propyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid (1-cyano-2-methylpropyl) ester IUPAC Name: (1-cyano-2-methylpropyl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (1-cyano-2-methyl-propyl) ester Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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