[4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate

Systemtic Name: [4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate Openeye Name: [4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate CAS Name: propanoic acid [4-tert-butyl-2-(1-phenylethyl)phenyl] ester IUPAC Name: [4-tert-butyl-2-(1-phenylethyl)phenyl] propanoate Traditional Name: propionic acid [4-tert-butyl-2-(1-phenylethyl)phenyl] ester Formula: C21H26O2 MolecularWeight: 310.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)C(C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)C(C)(C)C)C(C)C2=CC=CC=C2

InChI

InChI=1S/C21H26O2/c1-6-20(22)23-19-13-12-17(21(3,4)5)14-18(19)15(2)16-10-8-7-9-11-16/h7-15H,6H2,1-5H3