[(3S,5S)-5-oxidanyl-1-phenyl-hexan-3-yl] 3-phenylpropanoate

Systemtic Name: [(3S,5S)-5-oxidanyl-1-phenyl-hexan-3-yl] 3-phenylpropanoate Openeye Name: [(1S,3S)-3-hydroxy-1-phenethyl-butyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(3S,5S)-5-hydroxy-1-phenylhexan-3-yl] ester IUPAC Name: [(3S,5S)-5-hydroxy-1-phenylhexan-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1S,3S)-3-hydroxy-1-phenethyl-butyl] ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCC1=CC=CC=C1)OC(=O)CCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](C[C@H](CCC1=CC=CC=C1)OC(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C21H26O3/c1-17(22)16-20(14-12-18-8-4-2-5-9-18)24-21(23)15-13-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3/t17-,20-/m0/s1