(4S,5S,6R)-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane-4,5-diol

Systemtic Name: (4S,5S,6R)-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane-4,5-diol Openeye Name: (4S,5S,6R)-6-benzyloxy-4-(benzyloxymethyl)-1-methyl-azocane-4,5-diol CAS Name: (4S,5S,6R)-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane-4,5-diol IUPAC Name: (4S,5S,6R)-1-methyl-6-phenylmethoxy-4-(phenylmethoxymethyl)azocane-4,5-diol Traditional Name: (4S,5S,6R)-6-benzoxy-4-(benzoxymethyl)-1-methyl-azocane-4,5-diol Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C(CC1)(COCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CC[C@H]([C@@H]([C@](CC1)(COCC2=CC=CC=C2)O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO4/c1-24-14-12-21(28-17-20-10-6-3-7-11-20)22(25)23(26,13-15-24)18-27-16-19-8-4-2-5-9-19/h2-11,21-22,25-26H,12-18H2,1H3/t21-,22+,23+/m1/s1