[2-cyano-4-(2-methylhexyl)phenyl] 1-(4-octylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-octylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-octylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-octylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-octylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-octylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester Formula: C35H49NO2 MolecularWeight: 515.76906

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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)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C35H49NO2/c1-4-6-8-9-10-12-16-29-17-20-32(21-18-29)35(23-13-11-14-24-35)34(37)38-33-22-19-30(26-31(33)27-36)25-28(3)15-7-5-2/h17-22,26,28H,4-16,23-25H2,1-3H3