butyl (2R)-2-methyl-3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]propanoate

Systemtic Name: butyl (2R)-2-methyl-3-[2-(3-oxidanylidene-5-piperazin-1-yl-1H-isoindol-2-yl)ethanoylamino]propanoate Openeye Name: butyl (2R)-2-methyl-3-[[2-(1-oxo-6-piperazin-1-yl-isoindolin-2-yl)acetyl]amino]propanoate CAS Name: (2R)-2-methyl-3-[[1-oxo-2-[3-oxo-5-(1-piperazinyl)-1H-isoindol-2-yl]ethyl]amino]propanoic acid butyl ester IUPAC Name: butyl (2R)-2-methyl-3-[[2-(3-oxo-5-piperazin-1-yl-1H-isoindol-2-yl)acetyl]amino]propanoate Traditional Name: (2R)-3-[[2-(1-keto-6-piperazino-isoindolin-2-yl)acetyl]amino]-2-methyl-propionic acid butyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)CNC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CCCCOC(=O)[C@H](C)CNC(=O)CN1CC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C22H32N4O4/c1-3-4-11-30-22(29)16(2)13-24-20(27)15-26-14-17-5-6-18(12-19(17)21(26)28)25-9-7-23-8-10-25/h5-6,12,16,23H,3-4,7-11,13-15H2,1-2H3,(H,24,27)/t16-/m1/s1