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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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