[4-(4-cyanophenyl)phenyl] 4-[2-(2,2-dimethylbutanoyloxy)ethoxy]benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2,2-dimethylbutanoyloxy)ethoxy]benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2,2-dimethylbutanoyloxy)ethoxy]benzoate CAS Name: 4-[2-(2,2-dimethyl-1-oxobutoxy)ethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2,2-dimethylbutanoyloxy)ethoxy]benzoate Traditional Name: 4-[2-(2,2-dimethylbutanoyloxy)ethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C28H27NO5 MolecularWeight: 457.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)(C)C(=O)OCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H27NO5/c1-4-28(2,3)27(31)33-18-17-32-24-13-11-23(12-14-24)26(30)34-25-15-9-22(10-16-25)21-7-5-20(19-29)6-8-21/h5-16H,4,17-18H2,1-3H3