1-[6-[3,4-bis(oxidanyl)-5-(phenylmethoxymethyl)piperidin-1-yl]-2-oxidanylidene-hexyl]urea

Systemtic Name: 1-[6-[3,4-bis(oxidanyl)-5-(phenylmethoxymethyl)piperidin-1-yl]-2-oxidanylidene-hexyl]urea Openeye Name: [6-[3-(benzyloxymethyl)-4,5-dihydroxy-1-piperidyl]-2-oxo-hexyl]urea CAS Name: [6-[3,4-dihydroxy-5-(phenylmethoxymethyl)-1-piperidinyl]-2-oxohexyl]urea IUPAC Name: [6-[3,4-dihydroxy-5-(phenylmethoxymethyl)piperidin-1-yl]-2-oxohexyl]urea Traditional Name: [6-[3-(benzoxymethyl)-4,5-dihydroxy-piperidino]-2-keto-hexyl]urea Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1CCCCC(=O)CNC(=O)N)O)O)COCC2=CC=CC=C2

Isomeric SMILES

C1C(C(C(CN1CCCCC(=O)CNC(=O)N)O)O)COCC2=CC=CC=C2

InChI

InChI=1S/C20H31N3O5/c21-20(27)22-10-17(24)8-4-5-9-23-11-16(19(26)18(25)12-23)14-28-13-15-6-2-1-3-7-15/h1-3,6-7,16,18-19,25-26H,4-5,8-14H2,(H3,21,22,27)