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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CCC1CCCN(C1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C16H20BrNO2/c1-2-12-4-3-9-18(11-12)15-10-14(17)7-5-13(15)6-8-16(19)20/h5-8,10,12H,2-4,9,11H2,1H3,(H,19,20)/b8-6+