(1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol

Systemtic Name: (1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol Openeye Name: (1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol CAS Name: (1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol IUPAC Name: (1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol Traditional Name: (1S,2R,4S,6R)-6-(4-phenylbutylamino)cyclohexane-1,2,4-triol Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(C(C1NCCCCC2=CC=CC=C2)O)O)O

Isomeric SMILES

C1[C@@H](C[C@H]([C@H]([C@@H]1NCCCCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C16H25NO3/c18-13-10-14(16(20)15(19)11-13)17-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13-20H,4-5,8-11H2/t13-,14+,15+,16-/m0/s1