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

Systemtic Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-ethyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-ethyl-cyclohexanecarboxylate CAS Name: 1-cyano-3-ethyl-1-cyclohexanecarboxylic acid [4-(4-butoxyphenyl)phenyl] ester IUPAC Name: [4-(4-butoxyphenyl)phenyl] 1-cyano-3-ethylcyclohexane-1-carboxylate Traditional Name: 1-cyano-3-ethyl-cyclohexanecarboxylic acid [4-(4-butoxyphenyl)phenyl] ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCCC(C3)CC)C#N

InChI

InChI=1S/C26H31NO3/c1-3-5-17-29-23-12-8-21(9-13-23)22-10-14-24(15-11-22)30-25(28)26(19-27)16-6-7-20(4-2)18-26/h8-15,20H,3-7,16-18H2,1-2H3