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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

InChI

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