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

Systemtic Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-fluorobenzyl)oxy-methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C21H21BrFNO4 MolecularWeight: 450.298143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H21BrFNO4/c1-2-3-18-12-21(20(25)26,28-24-18)19(15-6-8-16(22)9-7-15)27-13-14-4-10-17(23)11-5-14/h4-11,19H,2-3,12-13H2,1H3,(H,25,26)