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

Systemtic Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxo-propyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxopropyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxopropyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-fluorobenzyl)oxy-methyl]-3-(3-keto-3-methoxy-propyl)-2-isoxazoline-5-carboxylic acid Formula: C22H21BrFNO6 MolecularWeight: 494.307643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrFNO6/c1-29-19(26)11-10-18-12-22(21(27)28,31-25-18)20(15-4-6-16(23)7-5-15)30-13-14-2-8-17(24)9-3-14/h2-9,20H,10-13H2,1H3,(H,27,28)