4-[[3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[1-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxo-ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[3-[1-(4-acetyl-1-piperazinyl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[3-[1-(4-acetylpiperazin-1-yl)-2-hydroxy-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-[1-(4-acetylpiperazino)-2-hydroxy-2-keto-ethyl]-1H-indol-5-yl]amino]-4-keto-butyric acid Formula: C20H24N4O6 MolecularWeight: 416.42776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H24N4O6/c1-12(25)23-6-8-24(9-7-23)19(20(29)30)15-11-21-16-3-2-13(10-14(15)16)22-17(26)4-5-18(27)28/h2-3,10-11,19,21H,4-9H2,1H3,(H,22,26)(H,27,28)(H,29,30)