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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)C1=C(C=CC(=C1)Br)C=CC(=O)O

Isomeric SMILES

CCCCCN(C)C1=C(C=CC(=C1)Br)/C=C/C(=O)O

InChI

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