1-[3-(bromomethyl)phenyl]pentan-2-yl ethanoate

Systemtic Name: 1-[3-(bromomethyl)phenyl]pentan-2-yl ethanoate Openeye Name: 1-[[3-(bromomethyl)phenyl]methyl]butyl acetate CAS Name: acetic acid 1-[3-(bromomethyl)phenyl]pentan-2-yl ester IUPAC Name: 1-[3-(bromomethyl)phenyl]pentan-2-yl acetate Traditional Name: acetic acid 1-[3-(bromomethyl)benzyl]butyl ester Formula: C14H19BrO2 MolecularWeight: 299.20346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrO2/c1-3-5-14(17-11(2)16)9-12-6-4-7-13(8-12)10-15/h4,6-8,14H,3,5,9-10H2,1-2H3