[2-cyano-4-(4-cyanophenyl)phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(4-cyanophenyl)phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(4-cyanophenyl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [2-cyano-4-(4-cyanophenyl)phenyl] ester IUPAC Name: [2-cyano-4-(4-cyanophenyl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [2-cyano-4-(4-cyanophenyl)phenyl] ester Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C25H26N2O2/c1-2-3-4-18-5-11-21(12-6-18)25(28)29-24-14-13-22(15-23(24)17-27)20-9-7-19(16-26)8-10-20/h7-10,13-15,18,21H,2-6,11-12H2,1H3