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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO2/c1-4-9-22-12-15-26(24(19-22)20-29)31-27(30)28(16-7-6-8-17-28)25-13-10-23(11-14-25)18-21(3)5-2/h10-15,19,21H,4-9,16-18H2,1-3H3