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

Systemtic Name: (2-cyano-4-ethyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-ethyl-phenyl) 1-(4-isopentylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(3-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-ethylphenyl) ester IUPAC Name: (2-cyano-4-ethylphenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isoamylphenyl)cyclohexanecarboxylic acid (2-cyano-4-ethyl-phenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C27H33NO2/c1-4-21-12-15-25(23(18-21)19-28)30-26(29)27(16-6-5-7-17-27)24-13-10-22(11-14-24)9-8-20(2)3/h10-15,18,20H,4-9,16-17H2,1-3H3