(5R,6S)-2,2-dimethyl-6-(2-phenylpropan-2-ylamino)-1,3-dioxepan-5-ol

Systemtic Name: (5R,6S)-2,2-dimethyl-6-(2-phenylpropan-2-ylamino)-1,3-dioxepan-5-ol Openeye Name: (5R,6S)-2,2-dimethyl-6-[(1-methyl-1-phenyl-ethyl)amino]-1,3-dioxepan-5-ol CAS Name: (5R,6S)-2,2-dimethyl-6-(2-phenylpropan-2-ylamino)-1,3-dioxepan-5-ol IUPAC Name: (5R,6S)-2,2-dimethyl-6-(2-phenylpropan-2-ylamino)-1,3-dioxepan-5-ol Traditional Name: (5R,6S)-6-(cumylamino)-2,2-dimethyl-1,3-dioxepan-5-ol Formula: C16H25NO3 MolecularWeight: 279.3746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(CO1)O)NC(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1(OC[C@@H]([C@H](CO1)O)NC(C)(C)C2=CC=CC=C2)C

InChI

InChI=1S/C16H25NO3/c1-15(2,12-8-6-5-7-9-12)17-13-10-19-16(3,4)20-11-14(13)18/h5-9,13-14,17-18H,10-11H2,1-4H3/t13-,14-/m0/s1