2-[4-(4-bromophenyl)butanoylamino]-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)butanoylamino]-4-dibenzofuran-2-yl-4-oxidanylidene-butanoic acid Openeye Name: 2-[4-(4-bromophenyl)butanoylamino]-4-dibenzofuran-2-yl-4-oxo-butanoic acid CAS Name: 2-[[4-(4-bromophenyl)-1-oxobutyl]amino]-4-(2-dibenzofuranyl)-4-oxobutanoic acid IUPAC Name: 2-[4-(4-bromophenyl)butanoylamino]-4-dibenzofuran-2-yl-4-oxobutanoic acid Traditional Name: 2-[4-(4-bromophenyl)butanoylamino]-4-dibenzofuran-2-yl-4-keto-butyric acid Formula: C26H22BrNO5 MolecularWeight: 508.36058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CC(C(=O)O)NC(=O)CCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)C(=O)CC(C(=O)O)NC(=O)CCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrNO5/c27-18-11-8-16(9-12-18)4-3-7-25(30)28-21(26(31)32)15-22(29)17-10-13-24-20(14-17)19-5-1-2-6-23(19)33-24/h1-2,5-6,8-14,21H,3-4,7,15H2,(H,28,30)(H,31,32)