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

Systemtic Name: (2-cyano-4-propyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-propyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylheptyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-propylphenyl) ester IUPAC Name: (2-cyano-4-propylphenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-propyl-phenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

Isomeric SMILES

CCCCCC(C)CC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-6-8-12-24(3)21-26-13-16-28(17-14-26)31(19-9-7-10-20-31)30(33)34-29-18-15-25(11-5-2)22-27(29)23-32/h13-18,22,24H,4-12,19-21H2,1-3H3