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

Systemtic Name: 2-[[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxycarbonylamino]ethanoic acid Openeye Name: 2-[[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]methoxycarbonylamino]acetic acid CAS Name: 2-[[[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]methoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methoxycarbonylamino]acetic acid Traditional Name: 2-[[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]methoxycarbonylamino]acetic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(ON2)COC(=O)NCC(=O)O)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(ON2)COC(=O)NCC(=O)O)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H28N2O6/c1-20(2,3)14-7-12(8-15(18(14)26)21(4,5)6)16-9-13(29-23-16)11-28-19(27)22-10-17(24)25/h7-9,23H,10-11H2,1-6H3,(H,22,27)(H,24,25)