2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-phenyl-4-pyridin-2-yl-butoxy)hexylamino]ethyl]phenol

Systemtic Name: 2-(hydroxymethyl)-4-[1-oxidanyl-2-[6-(4-phenyl-4-pyridin-2-yl-butoxy)hexylamino]ethyl]phenol Openeye Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[4-phenyl-4-(2-pyridyl)butoxy]hexylamino]ethyl]phenol CAS Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-[4-phenyl-4-(2-pyridinyl)butoxy]hexylamino]ethyl]phenol IUPAC Name: 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenyl-4-pyridin-2-ylbutoxy)hexylamino]ethyl]phenol Traditional Name: 4-[1-hydroxy-2-[6-[4-phenyl-4-(2-pyridyl)butoxy]hexylamino]ethyl]-2-methylol-phenol Formula: C30H40N2O4 MolecularWeight: 492.6496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C(CCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O)C3=CC=CC=N3

InChI

InChI=1S/C30H40N2O4/c33-23-26-21-25(15-16-29(26)34)30(35)22-31-17-7-1-2-9-19-36-20-10-13-27(24-11-4-3-5-12-24)28-14-6-8-18-32-28/h3-6,8,11-12,14-16,18,21,27,30-31,33-35H,1-2,7,9-10,13,17,19-20,22-23H2