(E)-3-[4-bromanyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[methyl-(1-methyl-4-piperidyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[methyl-(1-methyl-4-piperidinyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[methyl-(1-methyl-4-piperidyl)amino]phenyl]acrylic acid Formula: C16H21BrN2O2 MolecularWeight: 353.25414

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CN1CCC(CC1)N(C)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C16H21BrN2O2/c1-18-9-7-14(8-10-18)19(2)15-11-13(17)5-3-12(15)4-6-16(20)21/h3-6,11,14H,7-10H2,1-2H3,(H,20,21)/b6-4+