(2,3-dicyano-4-hexoxy-phenyl) 4-butylcyclohexane-1-carboxylate

Systemtic Name: (2,3-dicyano-4-hexoxy-phenyl) 4-butylcyclohexane-1-carboxylate Openeye Name: (2,3-dicyano-4-hexoxy-phenyl) 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid (2,3-dicyano-4-hexoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-hexoxyphenyl) 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (2,3-dicyano-4-hexoxy-phenyl) ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCCC)C#N)C#N

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)CCCC)C#N)C#N

InChI

InChI=1S/C25H34N2O3/c1-3-5-7-8-16-29-23-14-15-24(22(18-27)21(23)17-26)30-25(28)20-12-10-19(11-13-20)9-6-4-2/h14-15,19-20H,3-13,16H2,1-2H3