4-[4-(bromomethyl)-1,3-oxazol-2-yl]-3-phenyl-butanoate

Systemtic Name: 4-[4-(bromomethyl)-1,3-oxazol-2-yl]-3-phenyl-butanoate Openeye Name: 4-[4-(bromomethyl)oxazol-2-yl]-3-phenyl-butanoate CAS Name: 4-[4-(bromomethyl)-2-oxazolyl]-3-phenylbutanoate IUPAC Name: 4-[4-(bromomethyl)-1,3-oxazol-2-yl]-3-phenylbutanoate Traditional Name: 4-[4-(bromomethyl)oxazol-2-yl]-3-phenyl-butyrate Formula: C14H13BrNO3- MolecularWeight: 323.16192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC(=CO2)CBr)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC(=CO2)CBr)CC(=O)[O-]

InChI

InChI=1S/C14H14BrNO3/c15-8-12-9-19-13(16-12)6-11(7-14(17)18)10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,18)/p-1