(4R,5R)-4-methyl-4,5-bis(oxidanyl)-7-phenyl-heptanenitrile

Systemtic Name: (4R,5R)-4-methyl-4,5-bis(oxidanyl)-7-phenyl-heptanenitrile Openeye Name: (4R,5R)-4,5-dihydroxy-4-methyl-7-phenyl-heptanenitrile CAS Name: (4R,5R)-4,5-dihydroxy-4-methyl-7-phenylheptanenitrile IUPAC Name: (4R,5R)-4,5-dihydroxy-4-methyl-7-phenylheptanenitrile Traditional Name: (4R,5R)-4,5-dihydroxy-4-methyl-7-phenyl-enanthonitrile Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC#N)(C(CCC1=CC=CC=C1)O)O

Isomeric SMILES

C[C@@](CCC#N)([C@@H](CCC1=CC=CC=C1)O)O

InChI

InChI=1S/C14H19NO2/c1-14(17,10-5-11-15)13(16)9-8-12-6-3-2-4-7-12/h2-4,6-7,13,16-17H,5,8-10H2,1H3/t13-,14-/m1/s1