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

Systemtic Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-(o-tolylmethoxy)methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(2-methylphenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-amyl-5-[(4-bromophenyl)-(2-methylbenzyl)oxy-methyl]-2-isoxazoline-5-carboxylic acid Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

Isomeric SMILES

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=CC=C3C)C(=O)O

InChI

InChI=1S/C24H28BrNO4/c1-3-4-5-10-21-15-24(23(27)28,30-26-21)22(18-11-13-20(25)14-12-18)29-16-19-9-7-6-8-17(19)2/h6-9,11-14,22H,3-5,10,15-16H2,1-2H3,(H,27,28)