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

Systemtic Name: (E)-3-[4-bromanyl-2-(2-ethylpiperidin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(2-ethyl-1-piperidyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(2-ethyl-1-piperidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(2-ethylpiperidin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(2-ethylpiperidino)phenyl]acrylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CCC1CCCCN1C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C16H20BrNO2/c1-2-14-5-3-4-10-18(14)15-11-13(17)8-6-12(15)7-9-16(19)20/h6-9,11,14H,2-5,10H2,1H3,(H,19,20)/b9-7+