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

Systemtic Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Openeye Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol CAS Name: 2-ethyl-2-(1-pyrenylmethylamino)propane-1,3-diol IUPAC Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Traditional Name: 2-ethyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCC(CO)(CO)NCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C22H23NO2/c1-2-22(13-24,14-25)23-12-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)21(17)20(15)16/h3-11,23-25H,2,12-14H2,1H3