methyl 2-(phenylmethyl)pentanoate

Systemtic Name: methyl 2-(phenylmethyl)pentanoate Openeye Name: methyl 2-benzylpentanoate CAS Name: 2-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 2-benzylpentanoate Traditional Name: 2-benzylvaleric acid methyl ester Formula: C13H18O2 MolecularWeight: 206.28082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2/c1-3-7-12(13(14)15-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3