(2S,3S,4R)-5,5-dimethyl-3-phenylmethoxy-4-[(phenylmethyl)amino]hexane-1,2-diol

Systemtic Name: (2S,3S,4R)-5,5-dimethyl-3-phenylmethoxy-4-[(phenylmethyl)amino]hexane-1,2-diol Openeye Name: (2S,3S,4R)-4-(benzylamino)-3-benzyloxy-5,5-dimethyl-hexane-1,2-diol CAS Name: (2S,3S,4R)-5,5-dimethyl-3-phenylmethoxy-4-[(phenylmethyl)amino]hexane-1,2-diol IUPAC Name: (2S,3S,4R)-4-(benzylamino)-5,5-dimethyl-3-phenylmethoxyhexane-1,2-diol Traditional Name: (2S,3S,4R)-3-benzoxy-4-(benzylamino)-5,5-dimethyl-hexane-1,2-diol Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C(CO)O)OCC1=CC=CC=C1)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@H]([C@@H]([C@H](CO)O)OCC1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO3/c1-22(2,3)21(23-14-17-10-6-4-7-11-17)20(19(25)15-24)26-16-18-12-8-5-9-13-18/h4-13,19-21,23-25H,14-16H2,1-3H3/t19-,20+,21-/m0/s1