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

Systemtic Name: 2-pentyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Openeye Name: 2-pentyl-2-(pyren-1-ylmethylamino)propane-1,3-diol CAS Name: 2-pentyl-2-(1-pyrenylmethylamino)propane-1,3-diol IUPAC Name: 2-pentyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Traditional Name: 2-amyl-2-(pyren-1-ylmethylamino)propane-1,3-diol Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO2/c1-2-3-4-14-25(16-27,17-28)26-15-21-11-10-20-9-8-18-6-5-7-19-12-13-22(21)24(20)23(18)19/h5-13,26-28H,2-4,14-17H2,1H3