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

Systemtic Name: (E)-3-[4-bromanyl-2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(4-isopropylpiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(4-propan-2-yl-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(4-propan-2-ylpiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(4-isopropylpiperazino)phenyl]acrylic acid Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O2/c1-12(2)18-7-9-19(10-8-18)15-11-14(17)5-3-13(15)4-6-16(20)21/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)/b6-4+