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

Systemtic Name: (E)-3-[4-bromanyl-2-[butyl(methyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[butyl(methyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[butyl(methyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[butyl(methyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[butyl(methyl)amino]phenyl]acrylic acid Formula: C14H18BrNO2 MolecularWeight: 312.20222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO2/c1-3-4-9-16(2)13-10-12(15)7-5-11(13)6-8-14(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)/b8-6+