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

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-ethylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-ethylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCCC(C)C1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C30H39NO2/c1-4-6-7-9-12-23(3)25-15-18-28(26(21-25)22-31)33-29(32)30(19-10-8-11-20-30)27-16-13-24(5-2)14-17-27/h13-18,21,23H,4-12,19-20H2,1-3H3