[4-(4-pentylphenyl)phenyl] 4-cyanocyclohexane-1-carboxylate

Systemtic Name: [4-(4-pentylphenyl)phenyl] 4-cyanocyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)phenyl] 4-cyanocyclohexanecarboxylate CAS Name: 4-cyano-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)phenyl] ester IUPAC Name: [4-(4-pentylphenyl)phenyl] 4-cyanocyclohexane-1-carboxylate Traditional Name: 4-cyanocyclohexanecarboxylic acid [4-(4-amylphenyl)phenyl] ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)C#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)C#N

InChI

InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-14-16-24(17-15-22)28-25(27)23-12-8-20(18-26)9-13-23/h6-7,10-11,14-17,20,23H,2-5,8-9,12-13H2,1H3