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

Systemtic Name: (E)-3-[4-bromanyl-2-[methyl(pentan-3-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[1-ethylpropyl(methyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[methyl(pentan-3-yl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[methyl(pentan-3-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[1-ethylpropyl(methyl)amino]phenyl]acrylic acid Formula: C15H20BrNO2 MolecularWeight: 326.2288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N(C)C1=C(C=CC(=C1)Br)C=CC(=O)O

Isomeric SMILES

CCC(CC)N(C)C1=C(C=CC(=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H20BrNO2/c1-4-13(5-2)17(3)14-10-12(16)8-6-11(14)7-9-15(18)19/h6-10,13H,4-5H2,1-3H3,(H,18,19)/b9-7+