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

Systemtic Name: (2-cyano-4-decyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-decyl-phenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylate CAS Name: 1-[4-(2-methylheptyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-decylphenyl) ester IUPAC Name: (2-cyano-4-decylphenyl) 1-[4-(2-methylheptyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-[4-(2-methylheptyl)phenyl]cyclohexanecarboxylic acid (2-cyano-4-decyl-phenyl) ester Formula: C38H55NO2 MolecularWeight: 557.8488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CC(C)CCCCC)C#N

InChI

InChI=1S/C38H55NO2/c1-4-6-8-9-10-11-12-15-19-32-22-25-36(34(29-32)30-39)41-37(40)38(26-16-13-17-27-38)35-23-20-33(21-24-35)28-31(3)18-14-7-5-2/h20-25,29,31H,4-19,26-28H2,1-3H3