(2-cyano-4-octan-2-yl-phenyl) 1-(4-decylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-decylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-decylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-decylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-decylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-decylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C38H55NO2 MolecularWeight: 557.8488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

InChI

InChI=1S/C38H55NO2/c1-4-6-8-10-11-12-13-16-20-32-21-24-35(25-22-32)38(27-17-14-18-28-38)37(40)41-36-26-23-33(29-34(36)30-39)31(3)19-15-9-7-5-2/h21-26,29,31H,4-20,27-28H2,1-3H3