4-[4-[4-(4-bromophenyl)butanoylamino]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[4-(4-bromophenyl)butanoylamino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(4-bromophenyl)butanoylamino]phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[4-(4-bromophenyl)-1-oxobutyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(4-bromophenyl)butanoylamino]phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(4-bromophenyl)butanoylamino]phenyl]-4-keto-butyric acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O)Br

InChI

InChI=1S/C20H20BrNO4/c21-16-8-4-14(5-9-16)2-1-3-19(24)22-17-10-6-15(7-11-17)18(23)12-13-20(25)26/h4-11H,1-3,12-13H2,(H,22,24)(H,25,26)