(2-cyano-4-hexyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-hexyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-hexyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylheptyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-hexylphenyl) ester IUPAC Name: (2-cyano-4-hexylphenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-hexyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

InChI

InChI=1S/C34H47NO2/c1-4-6-8-11-15-28-18-21-32(30(25-28)26-35)37-33(36)34(22-12-9-13-23-34)31-19-16-29(17-20-31)24-27(3)14-10-7-5-2/h16-21,25,27H,4-15,22-24H2,1-3H3