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

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-propylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-propylphenyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C28H35NO2/c1-4-8-22-11-14-25(15-12-22)28(17-6-5-7-18-28)27(30)31-26-16-13-23(10-9-21(2)3)19-24(26)20-29/h11-16,19,21H,4-10,17-18H2,1-3H3