2-methyl-2-[(6-phenylmethoxypyren-1-yl)methylamino]propane-1,3-diol hydrochloride

Systemtic Name: 2-methyl-2-[(6-phenylmethoxypyren-1-yl)methylamino]propane-1,3-diol hydrochloride Openeye Name: 2-[(6-benzyloxypyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride CAS Name: 2-methyl-2-[(6-phenylmethoxy-1-pyrenyl)methylamino]propane-1,3-diol hydrochloride IUPAC Name: 2-methyl-2-[(6-phenylmethoxypyren-1-yl)methylamino]propane-1,3-diol hydrochloride Traditional Name: 2-[(6-benzoxypyren-1-yl)methylamino]-2-methyl-propane-1,3-diol hydrochloride Formula: C28H28ClNO3 MolecularWeight: 461.97982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)OCC5=CC=CC=C5.Cl

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC3=C4C2=C(C=C1)C=CC4=C(C=C3)OCC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H27NO3.ClH/c1-28(17-30,18-31)29-15-22-8-7-20-10-13-24-25(32-16-19-5-3-2-4-6-19)14-11-21-9-12-23(22)26(20)27(21)24;/h2-14,29-31H,15-18H2,1H3;1H