2-(4-acetamidophenyl)-N-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: 2-(4-acetamidophenyl)-N-[1-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-3-oxidanylidene-propan-2-yl]butanamide Openeye Name: 2-(4-acetamidophenyl)-N-[1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: 2-(4-acetamidophenyl)-N-[1-(3,5-dibromo-4-hydroxyphenyl)-3-oxopropan-2-yl]butanamide IUPAC Name: 2-(4-acetamidophenyl)-N-[1-(3,5-dibromo-4-hydroxyphenyl)-3-oxopropan-2-yl]butanamide Traditional Name: 2-(4-acetamidophenyl)-N-[1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-ethyl]butyramide Formula: C21H22Br2N2O4 MolecularWeight: 526.21838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC(=O)C)C(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C=O

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC(=O)C)C(=O)NC(CC2=CC(=C(C(=C2)Br)O)Br)C=O

InChI

InChI=1S/C21H22Br2N2O4/c1-3-17(14-4-6-15(7-5-14)24-12(2)27)21(29)25-16(11-26)8-13-9-18(22)20(28)19(23)10-13/h4-7,9-11,16-17,28H,3,8H2,1-2H3,(H,24,27)(H,25,29)