tert-butyl 2-[4-[(4-cyanophenyl)carbonylcarbamoylamino]-2-fluoranyl-phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(4-cyanophenyl)carbonylcarbamoylamino]-2-fluoranyl-phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(4-cyanobenzoyl)carbamoylamino]-2-fluoro-phenoxy]acetate CAS Name: 2-[4-[[[[(4-cyanophenyl)-oxomethyl]amino]-oxomethyl]amino]-2-fluorophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-cyanobenzoyl)carbamoylamino]-2-fluorophenoxy]acetate Traditional Name: 2-[4-[(4-cyanobenzoyl)carbamoylamino]-2-fluoro-phenoxy]acetic acid tert-butyl ester Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C21H20FN3O5/c1-21(2,3)30-18(26)12-29-17-9-8-15(10-16(17)22)24-20(28)25-19(27)14-6-4-13(11-23)5-7-14/h4-10H,12H2,1-3H3,(H2,24,25,27,28)