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

Systemtic Name: phenyl 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Openeye Name: phenyl 4-[4-(1,1-dimethylpropyl)phenoxy]butanoate CAS Name: 4-[4-(2-methylbutan-2-yl)phenoxy]butanoic acid phenyl ester IUPAC Name: phenyl 4-[4-(2-methylbutan-2-yl)phenoxy]butanoate Traditional Name: 4-(4-tert-amylphenoxy)butyric acid phenyl ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-4-21(2,3)17-12-14-18(15-13-17)23-16-8-11-20(22)24-19-9-6-5-7-10-19/h5-7,9-10,12-15H,4,8,11,16H2,1-3H3