(2-cyano-4-ethyl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-ethyl-phenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-ethyl-phenyl) 1-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-octylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-ethylphenyl) ester IUPAC Name: (2-cyano-4-ethylphenyl) 1-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-octylphenyl)cyclohexanecarboxylic acid (2-cyano-4-ethyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CC)C#N

InChI

InChI=1S/C30H39NO2/c1-3-5-6-7-8-10-13-25-14-17-27(18-15-25)30(20-11-9-12-21-30)29(32)33-28-19-16-24(4-2)22-26(28)23-31/h14-19,22H,3-13,20-21H2,1-2H3