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

Systemtic Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-(p-tolylmethoxy)methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-methylphenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-methylbenzyl)oxy-methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C21H22BrNO4 MolecularWeight: 432.30768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO4/c1-3-18-12-21(20(24)25,27-23-18)19(16-8-10-17(22)11-9-16)26-13-15-6-4-14(2)5-7-15/h4-11,19H,3,12-13H2,1-2H3,(H,24,25)