[(2S)-octan-2-yl] 3-phenylpropanoate

Systemtic Name: [(2S)-octan-2-yl] 3-phenylpropanoate Openeye Name: [(1S)-1-methylheptyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2S)-octan-2-yl] ester IUPAC Name: [(2S)-octan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1S)-1-methylheptyl] ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O2/c1-3-4-5-7-10-15(2)19-17(18)14-13-16-11-8-6-9-12-16/h6,8-9,11-12,15H,3-5,7,10,13-14H2,1-2H3/t15-/m0/s1