(2-cyano-4-ethyl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate

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

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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)CC)C#N

Isomeric SMILES

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

InChI

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