(3R,4R)-4-(hydroxymethyl)-1-pyren-1-yl-pyrrolidin-3-ol

Systemtic Name: (3R,4R)-4-(hydroxymethyl)-1-pyren-1-yl-pyrrolidin-3-ol Openeye Name: (3R,4R)-4-(hydroxymethyl)-1-pyren-1-yl-pyrrolidin-3-ol CAS Name: (3R,4R)-4-(hydroxymethyl)-1-(1-pyrenyl)-3-pyrrolidinol IUPAC Name: (3R,4R)-4-(hydroxymethyl)-1-pyren-1-ylpyrrolidin-3-ol Traditional Name: (3R,4R)-4-methylol-1-pyren-1-yl-pyrrolidin-3-ol Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)CO

Isomeric SMILES

C1[C@@H]([C@H](CN1C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O)CO

InChI

InChI=1S/C21H19NO2/c23-12-16-10-22(11-19(16)24)18-9-7-15-5-4-13-2-1-3-14-6-8-17(18)21(15)20(13)14/h1-9,16,19,23-24H,10-12H2/t16-,19+/m1/s1