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

Systemtic Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-(o-tolylmethoxy)methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(2-methylbenzyl)oxy-methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C22H24BrNO4/c1-3-6-19-13-22(21(25)26,28-24-19)20(16-9-11-18(23)12-10-16)27-14-17-8-5-4-7-15(17)2/h4-5,7-12,20H,3,6,13-14H2,1-2H3,(H,25,26)