3-methyl-2-(pyren-1-ylmethylamino)pentan-1-ol

Systemtic Name: 3-methyl-2-(pyren-1-ylmethylamino)pentan-1-ol Openeye Name: 3-methyl-2-(pyren-1-ylmethylamino)pentan-1-ol CAS Name: 3-methyl-2-(1-pyrenylmethylamino)-1-pentanol IUPAC Name: 3-methyl-2-(pyren-1-ylmethylamino)pentan-1-ol Traditional Name: 3-methyl-2-(pyren-1-ylmethylamino)pentan-1-ol Formula: C23H25NO MolecularWeight: 331.4507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO/c1-3-15(2)21(14-25)24-13-19-10-9-18-8-7-16-5-4-6-17-11-12-20(19)23(18)22(16)17/h4-12,15,21,24-25H,3,13-14H2,1-2H3