2-[[2-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]methyl]butanoic acid

Systemtic Name: 2-[[2-[4-(4-cyanophenyl)-3-oxidanylidene-piperazin-1-yl]ethanoylamino]methyl]butanoic acid Openeye Name: 2-[[[2-[4-(4-cyanophenyl)-3-oxo-piperazin-1-yl]acetyl]amino]methyl]butanoic acid CAS Name: 2-[[[2-[4-(4-cyanophenyl)-3-oxo-1-piperazinyl]-1-oxoethyl]amino]methyl]butanoic acid IUPAC Name: 2-[[[2-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]acetyl]amino]methyl]butanoic acid Traditional Name: 2-[[[2-[4-(4-cyanophenyl)-3-keto-piperazino]acetyl]amino]methyl]butyric acid Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CN1CCN(C(=O)C1)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCC(CNC(=O)CN1CCN(C(=O)C1)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C18H22N4O4/c1-2-14(18(25)26)10-20-16(23)11-21-7-8-22(17(24)12-21)15-5-3-13(9-19)4-6-15/h3-6,14H,2,7-8,10-12H2,1H3,(H,20,23)(H,25,26)