[4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate

Systemtic Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate Openeye Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate CAS Name: 3-cyano-4-(4-heptylcyclohexyl)benzoic acid [4-(4-hexoxyphenyl)phenyl] ester IUPAC Name: [4-(4-hexoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate Traditional Name: 3-cyano-4-(4-heptylcyclohexyl)benzoic acid [4-(4-hexoxyphenyl)phenyl] ester Formula: C39H49NO3 MolecularWeight: 579.81126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCC)C#N

InChI

InChI=1S/C39H49NO3/c1-3-5-7-9-10-12-30-13-15-33(16-14-30)38-26-21-34(28-35(38)29-40)39(41)43-37-24-19-32(20-25-37)31-17-22-36(23-18-31)42-27-11-8-6-4-2/h17-26,28,30,33H,3-16,27H2,1-2H3