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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-methyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-methyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-methyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)methoxy-(3,4-dichlorophenyl)methyl]-3-methyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-tert-butylbenzyl)oxy-(3,4-dichlorophenyl)methyl]-3-methyl-2-isoxazoline-5-carboxylic acid Formula: C23H25Cl2NO4 MolecularWeight: 450.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(C1)(C(C2=CC(=C(C=C2)Cl)Cl)OCC3=CC=C(C=C3)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=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/C23H25Cl2NO4/c1-14-12-23(21(27)28,30-26-14)20(16-7-10-18(24)19(25)11-16)29-13-15-5-8-17(9-6-15)22(2,3)4/h5-11,20H,12-13H2,1-4H3,(H,27,28)