4-[[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-phenethyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-phenethyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-phenethylamino]-4-oxobutanoic acid IUPAC Name: 4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-phenethylamino]-4-oxobutanoic acid Traditional Name: 4-[[1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]-phenethyl-amino]-4-keto-butyric acid Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Br)N(CCC3=CC=CC=C3)C(=O)CCC(=O)O

InChI

InChI=1S/C22H21BrN2O5/c23-16-6-8-17(9-7-16)25-20(27)14-18(22(25)30)24(19(26)10-11-21(28)29)13-12-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,28,29)