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

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-pentylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-amylphenyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C30H39NO2/c1-4-5-7-10-24-13-16-27(17-14-24)30(19-8-6-9-20-30)29(32)33-28-18-15-25(12-11-23(2)3)21-26(28)22-31/h13-18,21,23H,4-12,19-20H2,1-3H3