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

Systemtic Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-butyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-butyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-butyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-fluorobenzyl)oxy-methyl]-3-butyl-2-isoxazoline-5-carboxylic acid Formula: C22H23BrFNO4 MolecularWeight: 464.324723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C22H23BrFNO4/c1-2-3-4-19-13-22(21(26)27,29-25-19)20(16-7-9-17(23)10-8-16)28-14-15-5-11-18(24)12-6-15/h5-12,20H,2-4,13-14H2,1H3,(H,26,27)