[4-(4-cyanophenyl)phenyl] 4-(4-tert-butylphenoxy)butanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(4-tert-butylphenoxy)butanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(4-tert-butylphenoxy)butanoate CAS Name: 4-(4-tert-butylphenoxy)butanoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(4-tert-butylphenoxy)butanoate Traditional Name: 4-(4-tert-butylphenoxy)butyric acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3/c1-27(2,3)23-12-16-24(17-13-23)30-18-4-5-26(29)31-25-14-10-22(11-15-25)21-8-6-20(19-28)7-9-21/h6-17H,4-5,18H2,1-3H3