[2-cyano-4-(2-ethylhexyl)phenyl] 1-(4-ethylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCC(CC)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C30H39NO2/c1-4-7-11-24(6-3)20-25-14-17-28(26(21-25)22-31)33-29(32)30(18-9-8-10-19-30)27-15-12-23(5-2)13-16-27/h12-17,21,24H,4-11,18-20H2,1-3H3