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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

InChI

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