2-[bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]amino]-4-fluoranyl-benzoate

Systemtic Name: 2-[bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]amino]-4-fluoranyl-benzoate Openeye Name: 2-[bis[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]amino]-4-fluoro-benzoate CAS Name: 2-[bis[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]amino]-4-fluorobenzoate IUPAC Name: 2-[bis[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-4-fluorobenzoate Traditional Name: 2-[bis[2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]amino]-4-fluoro-benzoate Formula: C25H29FN5O6- MolecularWeight: 514.526063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CN(CC(=O)NC2=CC(=NO2)C(C)(C)C)C3=C(C=CC(=C3)F)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CN(CC(=O)NC2=CC(=NO2)C(C)(C)C)C3=C(C=CC(=C3)F)C(=O)[O-]

InChI

InChI=1S/C25H30FN5O6/c1-24(2,3)17-10-21(36-29-17)27-19(32)12-31(16-9-14(26)7-8-15(16)23(34)35)13-20(33)28-22-11-18(30-37-22)25(4,5)6/h7-11H,12-13H2,1-6H3,(H,27,32)(H,28,33)(H,34,35)/p-1