(2-cyano-4-octan-2-yl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-butylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-butylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO2/c1-4-6-8-10-13-25(3)27-17-20-30(28(23-27)24-33)35-31(34)32(21-11-9-12-22-32)29-18-15-26(16-19-29)14-7-5-2/h15-20,23,25H,4-14,21-22H2,1-3H3