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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-3-methyl-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-3-methyl-4H-isoxazole-5-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-3-methyl-4H-isoxazole-5-carboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)methoxy-(4-chlorophenyl)methyl]-3-methyl-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 5-[(4-tert-butylbenzyl)oxy-(4-chlorophenyl)methyl]-3-methyl-2-isoxazoline-5-carboxylic acid Formula: C23H26ClNO4 MolecularWeight: 415.90984

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H26ClNO4/c1-15-13-23(21(26)27,29-25-15)20(17-7-11-19(24)12-8-17)28-14-16-5-9-18(10-6-16)22(2,3)4/h5-12,20H,13-14H2,1-4H3,(H,26,27)