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

Systemtic Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-amyl-5-[(4-bromophenyl)-(4-fluorobenzyl)oxy-methyl]-2-isoxazoline-5-carboxylic acid Formula: C23H25BrFNO4 MolecularWeight: 478.351303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C23H25BrFNO4/c1-2-3-4-5-20-14-23(22(27)28,30-26-20)21(17-8-10-18(24)11-9-17)29-15-16-6-12-19(25)13-7-16/h6-13,21H,2-5,14-15H2,1H3,(H,27,28)