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

Systemtic Name: tert-butyl 2-[4-[(4-carbamimidoylphenyl)carbonylcarbamoylamino]-2-fluoranyl-phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(4-carbamimidoylbenzoyl)carbamoylamino]-2-fluoro-phenoxy]acetate CAS Name: 2-[4-[[[[(4-carbamimidoylphenyl)-oxomethyl]amino]-oxomethyl]amino]-2-fluorophenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(4-carbamimidoylbenzoyl)carbamoylamino]-2-fluorophenoxy]acetate Traditional Name: 2-[4-[(4-amidinobenzoyl)carbamoylamino]-2-fluoro-phenoxy]acetic acid tert-butyl ester Formula: C21H23FN4O5 MolecularWeight: 430.429523

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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)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)N)F

InChI

InChI=1S/C21H23FN4O5/c1-21(2,3)31-17(27)11-30-16-9-8-14(10-15(16)22)25-20(29)26-19(28)13-6-4-12(5-7-13)18(23)24/h4-10H,11H2,1-3H3,(H3,23,24)(H2,25,26,28,29)