(2-cyano-4-pentyl-phenyl) 4-(4-pentylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 4-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 4-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 4-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylphenyl)cyclohexanecarboxylic acid (4-amyl-2-cyano-phenyl) ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C30H39NO2/c1-3-5-7-9-23-11-14-25(15-12-23)26-16-18-27(19-17-26)30(32)33-29-20-13-24(10-8-6-4-2)21-28(29)22-31/h11-15,20-21,26-27H,3-10,16-19H2,1-2H3