1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]-4-(phenylcarbonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]-4-(phenylcarbonyl)piperazine-2-carboxylic acid Openeye Name: 4-benzoyl-1-[2-(1H-indol-3-yl)-2-oxo-acetyl]piperazine-2-carboxylic acid CAS Name: 4-benzoyl-1-[2-(1H-indol-3-yl)-1,2-dioxoethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-benzoyl-1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperazine-2-carboxylic acid Traditional Name: 4-benzoyl-1-[2-(1H-indol-3-yl)-2-keto-acetyl]piperazine-2-carboxylic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C(=O)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H19N3O5/c26-19(16-12-23-17-9-5-4-8-15(16)17)21(28)25-11-10-24(13-18(25)22(29)30)20(27)14-6-2-1-3-7-14/h1-9,12,18,23H,10-11,13H2,(H,29,30)