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

Systemtic Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-propyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-bromophenyl)-[(4-tert-butylphenyl)methoxy]methyl]-3-propyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-bromophenyl)-(4-tert-butylbenzyl)oxy-methyl]-3-propyl-2-isoxazoline-5-carboxylic acid Formula: C25H30BrNO4 MolecularWeight: 488.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCC1=NOC(C1)(C(C2=CC=C(C=C2)Br)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C25H30BrNO4/c1-5-6-21-15-25(23(28)29,31-27-21)22(18-9-13-20(26)14-10-18)30-16-17-7-11-19(12-8-17)24(2,3)4/h7-14,22H,5-6,15-16H2,1-4H3,(H,28,29)