4-(pyren-1-ylmethylamino)butan-2-ol

Systemtic Name: 4-(pyren-1-ylmethylamino)butan-2-ol Openeye Name: 4-(pyren-1-ylmethylamino)butan-2-ol CAS Name: 4-(1-pyrenylmethylamino)-2-butanol IUPAC Name: 4-(pyren-1-ylmethylamino)butan-2-ol Traditional Name: 4-(pyren-1-ylmethylamino)butan-2-ol Formula: C21H21NO MolecularWeight: 303.39754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

Isomeric SMILES

CC(CCNCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)O

InChI

InChI=1S/C21H21NO/c1-14(23)11-12-22-13-18-8-7-17-6-5-15-3-2-4-16-9-10-19(18)21(17)20(15)16/h2-10,14,22-23H,11-13H2,1H3