4-[3-[4-(2,2-diphenylethanoyl)piperazin-1-yl]-2-oxidanyl-propyl]peroxy-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[4-(2,2-diphenylethanoyl)piperazin-1-yl]-2-oxidanyl-propyl]peroxy-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-hydroxy-propyl]peroxy-3-hydroxy-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-[2-hydroxy-3-[4-(1-oxo-2,2-diphenylethyl)-1-piperazinyl]propyl]dioxy-4-oxobutanoic acid IUPAC Name: 4-[3-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-hydroxypropyl]peroxy-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-[3-[4-(2,2-diphenylacetyl)piperazino]-2-hydroxy-propyl]peroxy-3-hydroxy-4-keto-butyric acid Formula: C25H30N2O8 MolecularWeight: 486.5143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COOC(=O)C(CC(=O)O)O)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(COOC(=O)C(CC(=O)O)O)O)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H30N2O8/c28-20(17-34-35-25(33)21(29)15-22(30)31)16-26-11-13-27(14-12-26)24(32)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23,28-29H,11-17H2,(H,30,31)