(E)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-tert-butoxycarbonylpiperazin-1-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-tert-butoxycarbonylpiperazino)-4-keto-but-2-enoic acid Formula: C13H20N2O5 MolecularWeight: 284.3083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H20N2O5/c1-13(2,3)20-12(19)15-8-6-14(7-9-15)10(16)4-5-11(17)18/h4-5H,6-9H2,1-3H3,(H,17,18)/b5-4+