methyl 5-oxidanyl-2-(phenylmethyl)pentanoate

Systemtic Name: methyl 5-oxidanyl-2-(phenylmethyl)pentanoate Openeye Name: methyl 2-benzyl-5-hydroxy-pentanoate CAS Name: 5-hydroxy-2-(phenylmethyl)pentanoic acid methyl ester IUPAC Name: methyl 2-benzyl-5-hydroxypentanoate Traditional Name: 2-benzyl-5-hydroxy-valeric acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCO)CC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCCO)CC1=CC=CC=C1

InChI

InChI=1S/C13H18O3/c1-16-13(15)12(8-5-9-14)10-11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3