(4R,5R)-2,4-bis(oxidanyl)-5-(phenylmethoxymethyl)heptanenitrile

Systemtic Name: (4R,5R)-2,4-bis(oxidanyl)-5-(phenylmethoxymethyl)heptanenitrile Openeye Name: (4R,5R)-5-(benzyloxymethyl)-2,4-dihydroxy-heptanenitrile CAS Name: (4R,5R)-2,4-dihydroxy-5-(phenylmethoxymethyl)heptanenitrile IUPAC Name: (4R,5R)-2,4-dihydroxy-5-(phenylmethoxymethyl)heptanenitrile Traditional Name: (4R,5R)-5-(benzoxymethyl)-2,4-dihydroxy-enanthonitrile Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC1=CC=CC=C1)C(CC(C#N)O)O

Isomeric SMILES

CC[C@H](COCC1=CC=CC=C1)[C@@H](CC(C#N)O)O

InChI

InChI=1S/C15H21NO3/c1-2-13(15(18)8-14(17)9-16)11-19-10-12-6-4-3-5-7-12/h3-7,13-15,17-18H,2,8,10-11H2,1H3/t13-,14?,15-/m1/s1