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

Systemtic Name: (2-cyano-4-decyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-decyl-phenyl) 1-(4-isopentylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(3-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-decylphenyl) ester IUPAC Name: (2-cyano-4-decylphenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isoamylphenyl)cyclohexanecarboxylic acid (2-cyano-4-decyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H49NO2/c1-4-5-6-7-8-9-10-12-15-30-20-23-33(31(26-30)27-36)38-34(37)35(24-13-11-14-25-35)32-21-18-29(19-22-32)17-16-28(2)3/h18-23,26,28H,4-17,24-25H2,1-3H3