[2-cyano-4-(2-methylhexyl)phenyl] 1-(4-propylphenyl)cyclohexane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCC(C)CC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC)C#N

InChI

InChI=1S/C30H39NO2/c1-4-6-11-23(3)20-25-14-17-28(26(21-25)22-31)33-29(32)30(18-8-7-9-19-30)27-15-12-24(10-5-2)13-16-27/h12-17,21,23H,4-11,18-20H2,1-3H3