2-[(3-ethylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol

Systemtic Name: 2-[(3-ethylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol Openeye Name: 2-[(3-ethylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol CAS Name: 2-[(3-ethyl-1-pyrenyl)methylamino]-2-methylpropane-1,3-diol IUPAC Name: 2-[(3-ethylpyren-1-yl)methylamino]-2-methylpropane-1,3-diol Traditional Name: 2-[(3-ethylpyren-1-yl)methylamino]-2-methyl-propane-1,3-diol Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CC3=CC=CC4=C3C2=C1C=C4)CNC(C)(CO)CO

Isomeric SMILES

CCC1=CC(=C2C=CC3=CC=CC4=C3C2=C1C=C4)CNC(C)(CO)CO

InChI

InChI=1S/C23H25NO2/c1-3-15-11-18(12-24-23(2,13-25)14-26)20-10-8-17-6-4-5-16-7-9-19(15)22(20)21(16)17/h4-11,24-26H,3,12-14H2,1-2H3