[2-cyano-4-(3-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-hexylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-hexylphenyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C31H41NO2/c1-4-5-6-8-11-25-14-17-28(18-15-25)31(20-9-7-10-21-31)30(33)34-29-19-16-26(13-12-24(2)3)22-27(29)23-32/h14-19,22,24H,4-13,20-21H2,1-3H3