(3S,4S)-3,5-dimethyl-4-phenylmethoxy-hexanenitrile

Systemtic Name: (3S,4S)-3,5-dimethyl-4-phenylmethoxy-hexanenitrile Openeye Name: (3S,4S)-4-benzyloxy-3,5-dimethyl-hexanenitrile CAS Name: (3S,4S)-3,5-dimethyl-4-phenylmethoxyhexanenitrile IUPAC Name: (3S,4S)-3,5-dimethyl-4-phenylmethoxyhexanenitrile Traditional Name: (3S,4S)-4-benzoxy-3,5-dimethyl-hexanenitrile Formula: C15H21NO MolecularWeight: 231.33334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)CC#N)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CC#N)[C@H](C(C)C)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO/c1-12(2)15(13(3)9-10-16)17-11-14-7-5-4-6-8-14/h4-8,12-13,15H,9,11H2,1-3H3/t13-,15-/m0/s1