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

Systemtic Name: 5-[(3,4-dichlorophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxidanylidene-propyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(3,4-dichlorophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxo-propyl)-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxopropyl)-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)-[(4-fluorophenyl)methoxy]methyl]-3-(3-methoxy-3-oxopropyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(3,4-dichlorophenyl)-(4-fluorobenzyl)oxy-methyl]-3-(3-keto-3-methoxy-propyl)-2-isoxazoline-5-carboxylic acid Formula: C22H20Cl2FNO6 MolecularWeight: 484.301703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl2FNO6/c1-30-19(27)9-7-16-11-22(21(28)29,32-26-16)20(14-4-8-17(23)18(24)10-14)31-12-13-2-5-15(25)6-3-13/h2-6,8,10,20H,7,9,11-12H2,1H3,(H,28,29)