3-(phenylmethyl)pentan-2-yl ethanoate

Systemtic Name: 3-(phenylmethyl)pentan-2-yl ethanoate Openeye Name: (2-benzyl-1-methyl-butyl) acetate CAS Name: acetic acid 3-(phenylmethyl)pentan-2-yl ester IUPAC Name: 3-benzylpentan-2-yl acetate Traditional Name: acetic acid (2-benzyl-1-methyl-butyl) ester Formula: C14H20O2 MolecularWeight: 220.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-4-14(11(2)16-12(3)15)10-13-8-6-5-7-9-13/h5-9,11,14H,4,10H2,1-3H3