(E)-3-[4-bromanyl-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[methyl(4-pyridylmethyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[methyl(pyridin-4-ylmethyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[methyl(4-pyridylmethyl)amino]phenyl]acrylic acid Formula: C16H15BrN2O2 MolecularWeight: 347.2065

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NC=C1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CN(CC1=CC=NC=C1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C16H15BrN2O2/c1-19(11-12-6-8-18-9-7-12)15-10-14(17)4-2-13(15)3-5-16(20)21/h2-10H,11H2,1H3,(H,20,21)/b5-3+