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

Systemtic Name: 3-butyl-5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-butyl-5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-4H-isoxazole-5-carboxylic acid CAS Name: 3-butyl-5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-butyl-5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-butyl-5-[(4-tert-butylbenzyl)oxy-(4-chlorophenyl)methyl]-2-isoxazoline-5-carboxylic acid Formula: C26H32ClNO4 MolecularWeight: 457.98958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CCCCC1=NOC(C1)(C(C2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H32ClNO4/c1-5-6-7-22-16-26(24(29)30,32-28-22)23(19-10-14-21(27)15-11-19)31-17-18-8-12-20(13-9-18)25(2,3)4/h8-15,23H,5-7,16-17H2,1-4H3,(H,29,30)