(4-ethylphenyl) 4-(4-butylcyclohexyl)-2-cyano-benzoate

Systemtic Name: (4-ethylphenyl) 4-(4-butylcyclohexyl)-2-cyano-benzoate Openeye Name: (4-ethylphenyl) 4-(4-butylcyclohexyl)-2-cyano-benzoate CAS Name: 4-(4-butylcyclohexyl)-2-cyanobenzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-(4-butylcyclohexyl)-2-cyanobenzoate Traditional Name: 4-(4-butylcyclohexyl)-2-cyano-benzoic acid (4-ethylphenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C26H31NO2/c1-3-5-6-20-7-11-21(12-8-20)22-13-16-25(23(17-22)18-27)26(28)29-24-14-9-19(4-2)10-15-24/h9-10,13-17,20-21H,3-8,11-12H2,1-2H3