4-methyl-2-(pyren-1-ylmethylamino)pentane-1,3-diol

Systemtic Name: 4-methyl-2-(pyren-1-ylmethylamino)pentane-1,3-diol Openeye Name: 4-methyl-2-(pyren-1-ylmethylamino)pentane-1,3-diol CAS Name: 4-methyl-2-(1-pyrenylmethylamino)pentane-1,3-diol IUPAC Name: 4-methyl-2-(pyren-1-ylmethylamino)pentane-1,3-diol Traditional Name: 4-methyl-2-(pyren-1-ylmethylamino)pentane-1,3-diol Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-14(2)23(26)20(13-25)24-12-18-9-8-17-7-6-15-4-3-5-16-10-11-19(18)22(17)21(15)16/h3-11,14,20,23-26H,12-13H2,1-2H3