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

Systemtic Name: 2-[[3-(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methylcarbamoylamino]ethanoic acid Openeye Name: 2-[[3-(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)isoxazol-5-yl]methylcarbamoylamino]acetic acid CAS Name: 2-[[[[3-(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)-5-isoxazolyl]methylamino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-5-yl]methylcarbamoylamino]acetic acid Traditional Name: 2-[[3-(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-5-yl]methylcarbamoylamino]acetic acid Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-20(2,3)14-7-12(8-15(18(14)27)21(4,5)6)16-9-13(29-24-16)10-22-19(28)23-11-17(25)26/h7-9,24H,10-11H2,1-6H3,(H,25,26)(H2,22,23,28)