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

Systemtic Name: (1-cyano-2-methyl-propyl) 4-(4-nonylphenyl)benzoate Openeye Name: (1-cyano-2-methyl-propyl) 4-(4-nonylphenyl)benzoate CAS Name: 4-(4-nonylphenyl)benzoic acid (1-cyano-2-methylpropyl) ester IUPAC Name: (1-cyano-2-methylpropyl) 4-(4-nonylphenyl)benzoate Traditional Name: 4-(4-nonylphenyl)benzoic acid (1-cyano-2-methyl-propyl) ester Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C#N)C(C)C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C#N)C(C)C

InChI

InChI=1S/C27H35NO2/c1-4-5-6-7-8-9-10-11-22-12-14-23(15-13-22)24-16-18-25(19-17-24)27(29)30-26(20-28)21(2)3/h12-19,21,26H,4-11H2,1-3H3