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

Systemtic Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-ethyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-ethyl-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 1-cyano-3-ethylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-ethyl-cyclohexanecarboxylic acid [4-(4-amylphenyl)phenyl] ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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