(E)-3-[4-bromanyl-2-(3,5-dimethylpiperidin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(3,5-dimethylpiperidin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(3,5-dimethyl-1-piperidyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(3,5-dimethyl-1-piperidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(3,5-dimethylpiperidin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(3,5-dimethylpiperidino)phenyl]acrylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=CC(=C2)Br)C=CC(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O)C

InChI

InChI=1S/C16H20BrNO2/c1-11-7-12(2)10-18(9-11)15-8-14(17)5-3-13(15)4-6-16(19)20/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,19,20)/b6-4+