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

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

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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)CC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-6-10-22(3)19-24-13-16-27(25(20-24)21-30)32-28(31)29(17-8-7-9-18-29)26-14-11-23(5-2)12-15-26/h11-16,20,22H,4-10,17-19H2,1-3H3