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

Systemtic Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-decylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-decylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-decylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester IUPAC Name: [2-cyano-4-(2-methylhexyl)phenyl] 1-(4-decylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-decylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(2-methylhexyl)phenyl] ester Formula: C37H53NO2 MolecularWeight: 543.82222

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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)CC(C)CCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C37H53NO2/c1-4-6-8-9-10-11-12-14-18-31-19-22-34(23-20-31)37(25-15-13-16-26-37)36(39)40-35-24-21-32(28-33(35)29-38)27-30(3)17-7-5-2/h19-24,28,30H,4-18,25-27H2,1-3H3