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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O2/c1-19(11-12-3-2-8-18-10-12)15-9-14(17)6-4-13(15)5-7-16(20)21/h2-10H,11H2,1H3,(H,20,21)/b7-5+