(2-cyano-4-heptyl-phenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-heptyl-phenyl) 1-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-propylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-propylphenyl)cyclohexanecarboxylic acid (2-cyano-4-heptyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO2/c1-3-5-6-7-9-13-25-16-19-28(26(22-25)23-31)33-29(32)30(20-10-8-11-21-30)27-17-14-24(12-4-2)15-18-27/h14-19,22H,3-13,20-21H2,1-2H3