5-[[(phenylmethyl)amino]methyl]oxepane-3,4,5-triol

Systemtic Name: 5-[[(phenylmethyl)amino]methyl]oxepane-3,4,5-triol Openeye Name: 5-[(benzylamino)methyl]oxepane-3,4,5-triol CAS Name: 5-[[(phenylmethyl)amino]methyl]oxepane-3,4,5-triol IUPAC Name: 5-[(benzylamino)methyl]oxepane-3,4,5-triol Traditional Name: 5-[(benzylamino)methyl]oxepane-3,4,5-triol Formula: C14H21NO4 MolecularWeight: 267.32084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(C(C1(CNCC2=CC=CC=C2)O)O)O

Isomeric SMILES

C1COCC(C(C1(CNCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C14H21NO4/c16-12-9-19-7-6-14(18,13(12)17)10-15-8-11-4-2-1-3-5-11/h1-5,12-13,15-18H,6-10H2