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

Systemtic Name: (2-cyano-4-heptyl-phenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-heptyl-phenyl) 1-(4-ethylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-ethylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 1-(4-ethylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-ethylphenyl)cyclohexanecarboxylic acid (2-cyano-4-heptyl-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-3-5-6-7-9-12-24-15-18-27(25(21-24)22-30)32-28(31)29(19-10-8-11-20-29)26-16-13-23(4-2)14-17-26/h13-18,21H,3-12,19-20H2,1-2H3