2-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid

Systemtic Name: 2-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid Openeye Name: 2-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-4,5-dihydroisoxazol-3-yl]propanoic acid CAS Name: 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydroisoxazol-3-yl]propanoic acid IUPAC Name: 2-[5-(3,5-ditert-butyl-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]propanoic acid Traditional Name: 2-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-isoxazolin-3-yl]propionic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NOC(C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1=NOC(C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C20H29NO4/c1-11(18(23)24)15-10-16(25-21-15)12-8-13(19(2,3)4)17(22)14(9-12)20(5,6)7/h8-9,11,16,22H,10H2,1-7H3,(H,23,24)