N-[3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]phenyl]-2-furamide Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3)C)Br

InChI

InChI=1S/C22H21BrN2O4/c1-13-10-16(23)11-14(2)20(13)29-15(3)21(26)24-17-6-4-7-18(12-17)25-22(27)19-8-5-9-28-19/h4-12,15H,1-3H3,(H,24,26)(H,25,27)