(5R,6S)-6-[(phenylmethyl)amino]-1,3-dioxepan-5-ol

Systemtic Name: (5R,6S)-6-[(phenylmethyl)amino]-1,3-dioxepan-5-ol Openeye Name: (5R,6S)-6-(benzylamino)-1,3-dioxepan-5-ol CAS Name: (5R,6S)-6-[(phenylmethyl)amino]-1,3-dioxepan-5-ol IUPAC Name: (5R,6S)-6-(benzylamino)-1,3-dioxepan-5-ol Traditional Name: (5R,6S)-6-(benzylamino)-1,3-dioxepan-5-ol Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(COCO1)O)NCC2=CC=CC=C2

Isomeric SMILES

C1[C@@H]([C@H](COCO1)O)NCC2=CC=CC=C2

InChI

InChI=1S/C12H17NO3/c14-12-8-16-9-15-7-11(12)13-6-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2/t11-,12-/m0/s1