[(1S,2S,3R)-2-methyl-3-oxidanyl-1-phenyl-butyl] benzoate

Systemtic Name: [(1S,2S,3R)-2-methyl-3-oxidanyl-1-phenyl-butyl] benzoate Openeye Name: [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenyl-butyl] benzoate CAS Name: benzoic acid [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenylbutyl] ester IUPAC Name: [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenylbutyl] benzoate Traditional Name: benzoic acid [(1S,2S,3R)-3-hydroxy-2-methyl-1-phenyl-butyl] ester Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)O)C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20O3/c1-13(14(2)19)17(15-9-5-3-6-10-15)21-18(20)16-11-7-4-8-12-16/h3-14,17,19H,1-2H3/t13-,14+,17-/m0/s1