2-[3-(2-azanylpropanoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide

Systemtic Name: 2-[3-(2-azanylpropanoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide Openeye Name: 2-[3-(2-aminopropanoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide CAS Name: 2-[3-[(2-amino-1-oxopropyl)amino]phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide IUPAC Name: 2-[3-(2-aminopropanoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide Traditional Name: 2-[3-(alanylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)benzamide Formula: C22H19F2IN4O3 MolecularWeight: 552.312536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)N

InChI

InChI=1S/C22H19F2IN4O3/c1-11(26)22(31)28-14-3-2-4-15(10-14)32-19-8-12(23)7-18(20(19)21(27)30)29-17-6-5-13(25)9-16(17)24/h2-11,29H,26H2,1H3,(H2,27,30)(H,28,31)