2-[4-[(E)-3-(1-piperidin-4-ylimidazol-4-yl)prop-2-enoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-(1-piperidin-4-ylimidazol-4-yl)prop-2-enoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(E)-3-[1-(4-piperidyl)imidazol-4-yl]prop-2-enoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(E)-1-oxo-3-[1-(4-piperidinyl)-4-imidazolyl]prop-2-enyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(E)-3-(1-piperidin-4-ylimidazol-4-yl)prop-2-enoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(E)-3-[1-(4-piperidyl)imidazol-4-yl]acryloyl]piperazino]acetic acid Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C=C(N=C2)C=CC(=O)N3CCN(CC3)CC(=O)O

Isomeric SMILES

C1CNCCC1N2C=C(N=C2)/C=C/C(=O)N3CCN(CC3)CC(=O)O

InChI

InChI=1S/C17H25N5O3/c23-16(21-9-7-20(8-10-21)12-17(24)25)2-1-14-11-22(13-19-14)15-3-5-18-6-4-15/h1-2,11,13,15,18H,3-10,12H2,(H,24,25)/b2-1+