2-(pyren-1-ylmethylamino)propane-1,3-diol

Systemtic Name: 2-(pyren-1-ylmethylamino)propane-1,3-diol Openeye Name: 2-(pyren-1-ylmethylamino)propane-1,3-diol CAS Name: 2-(1-pyrenylmethylamino)propane-1,3-diol IUPAC Name: 2-(pyren-1-ylmethylamino)propane-1,3-diol Traditional Name: 2-(pyren-1-ylmethylamino)propane-1,3-diol Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)CO

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNC(CO)CO

InChI

InChI=1S/C20H19NO2/c22-11-17(12-23)21-10-16-7-6-15-5-4-13-2-1-3-14-8-9-18(16)20(15)19(13)14/h1-9,17,21-23H,10-12H2