1-(3-bromanyl-1,2-oxazol-5-yl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol

Systemtic Name: 1-(3-bromanyl-1,2-oxazol-5-yl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol Openeye Name: 1-(3-bromoisoxazol-5-yl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol CAS Name: 1-(3-bromo-5-isoxazolyl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol IUPAC Name: 1-(3-bromo-1,2-oxazol-5-yl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol Traditional Name: 1-(3-bromoisoxazol-5-yl)-2-[6-(4-phenylbutoxy)hexylamino]ethanol Formula: C21H31BrN2O3 MolecularWeight: 439.38644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=NO2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=NO2)Br)O

InChI

InChI=1S/C21H31BrN2O3/c22-21-16-20(27-24-21)19(25)17-23-13-7-1-2-8-14-26-15-9-6-12-18-10-4-3-5-11-18/h3-5,10-11,16,19,23,25H,1-2,6-9,12-15,17H2