[4-(2-cyano-2-methyl-hexoxy)phenyl] 4-(4-decoxyphenyl)benzoate

Systemtic Name: [4-(2-cyano-2-methyl-hexoxy)phenyl] 4-(4-decoxyphenyl)benzoate Openeye Name: [4-(2-cyano-2-methyl-hexoxy)phenyl] 4-(4-decoxyphenyl)benzoate CAS Name: 4-(4-decoxyphenyl)benzoic acid [4-(2-cyano-2-methylhexoxy)phenyl] ester IUPAC Name: [4-(2-cyano-2-methylhexoxy)phenyl] 4-(4-decoxyphenyl)benzoate Traditional Name: 4-(4-decoxyphenyl)benzoic acid [4-(2-cyano-2-methyl-hexoxy)phenyl] ester Formula: C37H47NO4 MolecularWeight: 569.77338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OCC(C)(CCCC)C#N

InChI

InChI=1S/C37H47NO4/c1-4-6-8-9-10-11-12-13-27-40-33-20-18-31(19-21-33)30-14-16-32(17-15-30)36(39)42-35-24-22-34(23-25-35)41-29-37(3,28-38)26-7-5-2/h14-25H,4-13,26-27,29H2,1-3H3