(phenylmethyl) (2R,3R)-2-(hydroxymethyl)-3-oxidanyl-5-(3-phenethylphenyl)pentanoate

Systemtic Name: (phenylmethyl) (2R,3R)-2-(hydroxymethyl)-3-oxidanyl-5-(3-phenethylphenyl)pentanoate Openeye Name: benzyl (2R,3R)-3-hydroxy-2-(hydroxymethyl)-5-(3-phenethylphenyl)pentanoate CAS Name: (2R,3R)-3-hydroxy-2-(hydroxymethyl)-5-(3-phenethylphenyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3R)-3-hydroxy-2-(hydroxymethyl)-5-(3-phenethylphenyl)pentanoate Traditional Name: (2R,3R)-3-hydroxy-2-methylol-5-(3-phenethylphenyl)valeric acid benzyl ester Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=CC=C2)CCC(C(CO)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=CC=C2)CC[C@H]([C@@H](CO)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C27H30O4/c28-19-25(27(30)31-20-24-10-5-2-6-11-24)26(29)17-16-23-13-7-12-22(18-23)15-14-21-8-3-1-4-9-21/h1-13,18,25-26,28-29H,14-17,19-20H2/t25-,26-/m1/s1