(3-methyl-1-oxidanyl-butyl) 2-phenylethanoate

Systemtic Name: (3-methyl-1-oxidanyl-butyl) 2-phenylethanoate Openeye Name: (1-hydroxy-3-methyl-butyl) 2-phenylacetate CAS Name: 2-phenylacetic acid (1-hydroxy-3-methylbutyl) ester IUPAC Name: (1-hydroxy-3-methylbutyl) 2-phenylacetate Traditional Name: 2-phenylacetic acid (1-hydroxy-3-methyl-butyl) ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(O)OC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(O)OC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H18O3/c1-10(2)8-12(14)16-13(15)9-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3