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

Systemtic Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-pentyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-pentyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-amyl-5-[(4-bromophenyl)-(4-tert-butylbenzyl)oxy-methyl]-2-isoxazoline-5-carboxylic acid Formula: C27H34BrNO4 MolecularWeight: 516.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C27H34BrNO4/c1-5-6-7-8-23-17-27(25(30)31,33-29-23)24(20-11-15-22(28)16-12-20)32-18-19-9-13-21(14-10-19)26(2,3)4/h9-16,24H,5-8,17-18H2,1-4H3,(H,30,31)