(E)-3-[1-(1-phenyl-1-piperazin-1-yl-2-pyridin-2-yl-propan-2-yl)imidazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-(1-phenyl-1-piperazin-1-yl-2-pyridin-2-yl-propan-2-yl)imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-[1-methyl-2-phenyl-2-piperazin-1-yl-1-(2-pyridyl)ethyl]imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[1-phenyl-1-(1-piperazinyl)-2-(2-pyridinyl)propan-2-yl]-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(1-phenyl-1-piperazin-1-yl-2-pyridin-2-ylpropan-2-yl)imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-[1-methyl-2-phenyl-2-piperazino-1-(2-pyridyl)ethyl]imidazol-4-yl]acrylic acid Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)(C(C2=CC=CC=C2)N3CCNCC3)N4C=C(N=C4)C=CC(=O)O

Isomeric SMILES

CC(C1=CC=CC=N1)(C(C2=CC=CC=C2)N3CCNCC3)N4C=C(N=C4)/C=C/C(=O)O

InChI

InChI=1S/C24H27N5O2/c1-24(21-9-5-6-12-26-21,29-17-20(27-18-29)10-11-22(30)31)23(19-7-3-2-4-8-19)28-15-13-25-14-16-28/h2-12,17-18,23,25H,13-16H2,1H3,(H,30,31)/b11-10+