(2S)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[4-[4-(1,1-dimethylpropyl)phenoxy]phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[4-(4-tert-amylphenoxy)phenyl]-2-phenyl-propionate Formula: C26H27O3- MolecularWeight: 387.49078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C[C@@H](C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C26H28O3/c1-4-26(2,3)21-12-16-23(17-13-21)29-22-14-10-19(11-15-22)18-24(25(27)28)20-8-6-5-7-9-20/h5-17,24H,4,18H2,1-3H3,(H,27,28)/p-1/t24-/m0/s1