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

Systemtic Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-tert-butylbenzyl)oxy-methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C24H28BrNO4 MolecularWeight: 474.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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