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

Systemtic Name: 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Openeye Name: 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol CAS Name: 2-methyl-2-(1-pyrenylmethylamino)propane-1,3-diol IUPAC Name: 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Traditional Name: 2-methyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2/c1-21(12-23,13-24)22-11-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)20(16)19(14)15/h2-10,22-24H,11-13H2,1H3