3-[3-[5-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[3-[5-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[3-[5-(4-bromophenyl)-4,5-dihydroisoxazol-3-yl]phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[3-[5-(4-bromophenyl)-4,5-dihydroisoxazol-3-yl]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[3-[5-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-ethoxypropanoic acid Traditional Name: 3-[3-[5-(4-bromophenyl)-2-isoxazolin-3-yl]phenyl]-2-ethoxy-propionic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=CC(=C1)C2=NOC(C2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=CC(=C1)C2=NOC(C2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H20BrNO4/c1-2-25-19(20(23)24)11-13-4-3-5-15(10-13)17-12-18(26-22-17)14-6-8-16(21)9-7-14/h3-10,18-19H,2,11-12H2,1H3,(H,23,24)