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

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-heptylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-heptylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

InChI

InChI=1S/C35H49NO2/c1-4-6-8-10-13-17-29-18-21-32(22-19-29)35(24-14-11-15-25-35)34(37)38-33-23-20-30(26-31(33)27-36)28(3)16-12-9-7-5-2/h18-23,26,28H,4-17,24-25H2,1-3H3