[4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-hexylcyclohexyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCCC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCCC)C#N

InChI

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