(E)-4-oxidanylidene-4-(4-propan-2-ylpiperazin-1-yl)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(4-propan-2-ylpiperazin-1-yl)but-2-enoic acid Openeye Name: (E)-4-(4-isopropylpiperazin-1-yl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-(4-propan-2-yl-1-piperazinyl)-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(4-propan-2-ylpiperazin-1-yl)but-2-enoic acid Traditional Name: (E)-4-(4-isopropylpiperazino)-4-keto-but-2-enoic acid Formula: C11H18N2O3 MolecularWeight: 226.27222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11(15)16/h3-4,9H,5-8H2,1-2H3,(H,15,16)/b4-3+