[(1S,2S,3R)-2,4-dimethyl-3-oxidanyl-1-phenyl-pentyl] benzoate

Systemtic Name: [(1S,2S,3R)-2,4-dimethyl-3-oxidanyl-1-phenyl-pentyl] benzoate Openeye Name: [(1S,2S,3R)-3-hydroxy-2,4-dimethyl-1-phenyl-pentyl] benzoate CAS Name: benzoic acid [(1S,2S,3R)-3-hydroxy-2,4-dimethyl-1-phenylpentyl] ester IUPAC Name: [(1S,2S,3R)-3-hydroxy-2,4-dimethyl-1-phenylpentyl] benzoate Traditional Name: benzoic acid [(1S,2S,3R)-3-hydroxy-2,4-dimethyl-1-phenyl-pentyl] ester Formula: C20H24O3 MolecularWeight: 312.40276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O3/c1-14(2)18(21)15(3)19(16-10-6-4-7-11-16)23-20(22)17-12-8-5-9-13-17/h4-15,18-19,21H,1-3H3/t15-,18+,19-/m0/s1