[4-(4-cyanophenyl)phenyl] 4-[2-(2-methylbutanoyloxy)ethoxy]benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2-methylbutanoyloxy)ethoxy]benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2-methylbutanoyloxy)ethoxy]benzoate CAS Name: 4-[2-(2-methyl-1-oxobutoxy)ethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-[2-(2-methylbutanoyloxy)ethoxy]benzoate Traditional Name: 4-[2-(2-methylbutanoyloxy)ethoxy]benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25NO5/c1-3-19(2)26(29)32-17-16-31-24-12-10-23(11-13-24)27(30)33-25-14-8-22(9-15-25)21-6-4-20(18-28)5-7-21/h4-15,19H,3,16-17H2,1-2H3