(E)-3-[4-bromanyl-2-(4-ethanoylpiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(4-ethanoylpiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-acetylpiperazin-1-yl)-4-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-acetyl-1-piperazinyl)-4-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-acetylpiperazin-1-yl)-4-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-acetylpiperazino)-4-bromo-phenyl]acrylic acid Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H17BrN2O3/c1-11(19)17-6-8-18(9-7-17)14-10-13(16)4-2-12(14)3-5-15(20)21/h2-5,10H,6-9H2,1H3,(H,20,21)/b5-3+