N-butyl-2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-(phenylmethyl)pyrrolidin-2-yl]ethanamide

Systemtic Name: N-butyl-2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-(phenylmethyl)pyrrolidin-2-yl]ethanamide Openeye Name: 2-[(2R,3S,4R,5R)-1-benzyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-N-butyl-acetamide CAS Name: N-butyl-2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-1-(phenylmethyl)-2-pyrrolidinyl]acetamide IUPAC Name: 2-[(2R,3S,4R,5R)-1-benzyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-N-butylacetamide Traditional Name: 2-[(2R,3S,4R,5R)-1-benzyl-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-N-butyl-acetamide Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1C(C(C(N1CC2=CC=CC=C2)CO)O)O

Isomeric SMILES

CCCCNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CC2=CC=CC=C2)CO)O)O

InChI

InChI=1S/C18H28N2O4/c1-2-3-9-19-16(22)10-14-17(23)18(24)15(12-21)20(14)11-13-7-5-4-6-8-13/h4-8,14-15,17-18,21,23-24H,2-3,9-12H2,1H3,(H,19,22)/t14-,15-,17+,18-/m1/s1