[(2S)-4-phenylbutan-2-yl] pentanoate

Systemtic Name: [(2S)-4-phenylbutan-2-yl] pentanoate Openeye Name: [(1S)-1-methyl-3-phenyl-propyl] pentanoate CAS Name: pentanoic acid [(2S)-4-phenylbutan-2-yl] ester IUPAC Name: [(2S)-4-phenylbutan-2-yl] pentanoate Traditional Name: valeric acid [(1S)-1-methyl-3-phenyl-propyl] ester Formula: C15H22O2 MolecularWeight: 234.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C)CCC1=CC=CC=C1

Isomeric SMILES

CCCCC(=O)O[C@@H](C)CCC1=CC=CC=C1

InChI

InChI=1S/C15H22O2/c1-3-4-10-15(16)17-13(2)11-12-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3/t13-/m0/s1