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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-ethyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-ethyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-tert-butylbenzyl)oxy-(3,4-dichlorophenyl)methyl]-3-ethyl-2-isoxazoline-5-carboxylic acid Formula: C24H27Cl2NO4 MolecularWeight: 464.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2NO4/c1-5-18-13-24(22(28)29,31-27-18)21(16-8-11-19(25)20(26)12-16)30-14-15-6-9-17(10-7-15)23(2,3)4/h6-12,21H,5,13-14H2,1-4H3,(H,28,29)