4-[2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]butan-2-one bromide

Systemtic Name: 4-[2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]butan-2-one bromide Openeye Name: 4-(2-benzyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide CAS Name: 4-[2-(phenylmethyl)-2H-1,3-benzoxazol-3-yl]-2-butanone bromide IUPAC Name: 4-(2-benzyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide Traditional Name: 4-(2-benzyl-2H-1,3-benzoxazol-3-yl)butan-2-one bromide Formula: C18H19BrNO2- MolecularWeight: 361.25296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(OC2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)CCN1C(OC2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H19NO2.BrH/c1-14(20)11-12-19-16-9-5-6-10-17(16)21-18(19)13-15-7-3-2-4-8-15;/h2-10,18H,11-13H2,1H3;1H/p-1