2-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]propanoic acid Openeye Name: 2-[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]propanoic acid CAS Name: 2-[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]propanoic acid IUPAC Name: 2-[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]propanoic acid Traditional Name: 2-[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]propionic acid Formula: C20H27NO4 MolecularWeight: 345.43268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1)C(=O)O

Isomeric SMILES

CC(C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NO1)C(=O)O

InChI

InChI=1S/C20H27NO4/c1-11(18(23)24)16-10-15(21-25-16)12-8-13(19(2,3)4)17(22)14(9-12)20(5,6)7/h8-11,21H,1-7H3,(H,23,24)