2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]ethanoic acid bromide

Systemtic Name: 2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]ethanoic acid bromide Openeye Name: 2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]acetic acid bromide CAS Name: 2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]acetic acid bromide IUPAC Name: 2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]acetic acid bromide Traditional Name: 2-[4-[(2-methyl-2H-1,3-benzoxazol-3-yl)methyl]phenyl]acetic acid bromide Formula: C17H17BrNO3- MolecularWeight: 363.22578

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)CC(=O)O.[Br-]

Isomeric SMILES

CC1N(C2=CC=CC=C2O1)CC3=CC=C(C=C3)CC(=O)O.[Br-]

InChI

InChI=1S/C17H17NO3.BrH/c1-12-18(15-4-2-3-5-16(15)21-12)11-14-8-6-13(7-9-14)10-17(19)20;/h2-9,12H,10-11H2,1H3,(H,19,20);1H/p-1