5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-fluorobenzyl)oxy-methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C20H19BrFNO4 MolecularWeight: 436.271563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H19BrFNO4/c1-2-17-11-20(19(24)25,27-23-17)18(14-5-7-15(21)8-6-14)26-12-13-3-9-16(22)10-4-13/h3-10,18H,2,11-12H2,1H3,(H,24,25)