N-[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]-1-phenyl-methanimine oxide

Systemtic Name: N-[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]-1-phenyl-methanimine oxide Openeye Name: N-[(5S)-5-(benzyloxycarbonylamino)-6-methoxy-6-oxo-hexyl]-1-phenyl-methanimine oxide CAS Name: N-[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]-1-phenylmethanimine oxide IUPAC Name: N-[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]-1-phenylmethanimine oxide Traditional Name: N-[(5S)-5-(benzyloxycarbonylamino)-6-keto-6-methoxy-hexyl]-1-phenyl-methanimine oxide Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC[N+](=CC1=CC=CC=C1)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCCC/[N+](=C/C1=CC=CC=C1)/[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-28-21(25)20(23-22(26)29-17-19-12-6-3-7-13-19)14-8-9-15-24(27)16-18-10-4-2-5-11-18/h2-7,10-13,16,20H,8-9,14-15,17H2,1H3,(H,23,26)/b24-16-/t20-/m0/s1