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

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylheptyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylic acid (4-amyl-2-cyano-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

InChI

InChI=1S/C33H45NO2/c1-4-6-9-13-26(3)23-28-15-18-30(19-16-28)33(21-11-8-12-22-33)32(35)36-31-20-17-27(14-10-7-5-2)24-29(31)25-34/h15-20,24,26H,4-14,21-23H2,1-3H3