tert-butyl 2-[[3-azanyl-2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-5-yl]oxy]ethanoate

Systemtic Name: tert-butyl 2-[[3-azanyl-2-[(5-chloranylpyridin-2-yl)carbamoyl]-1-benzofuran-5-yl]oxy]ethanoate Openeye Name: tert-butyl 2-[3-amino-2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-5-yl]oxyacetate CAS Name: 2-[[3-amino-2-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-5-benzofuranyl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-amino-2-[(5-chloropyridin-2-yl)carbamoyl]-1-benzofuran-5-yl]oxy]acetate Traditional Name: 2-[3-amino-2-[(5-chloro-2-pyridyl)carbamoyl]benzofuran-5-yl]oxyacetic acid tert-butyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)OC(=C2N)C(=O)NC3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)OC(=C2N)C(=O)NC3=NC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O5/c1-20(2,3)29-16(25)10-27-12-5-6-14-13(8-12)17(22)18(28-14)19(26)24-15-7-4-11(21)9-23-15/h4-9H,10,22H2,1-3H3,(H,23,24,26)