(2-phenylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate

Systemtic Name: (2-phenylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: (2-phenylphenyl) 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid (2-phenylphenyl) ester IUPAC Name: (2-phenylphenyl) 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid (2-phenylphenyl) ester Formula: C27H30O3 MolecularWeight: 402.5253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C27H30O3/c1-4-27(2,3)22-16-18-23(19-17-22)29-20-10-15-26(28)30-25-14-9-8-13-24(25)21-11-6-5-7-12-21/h5-9,11-14,16-19H,4,10,15,20H2,1-3H3