6-[[5-bromanyl-2-[(E)-2-methylbut-2-enoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-[(E)-2-methylbut-2-enoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-[(E)-2-methylbut-2-enoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[(E)-2-methylbut-2-enoxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-[(E)-2-methylbut-2-enoxy]phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-[(E)-2-methylbut-2-enoxy]benzyl]-ethyl-amino]nicotinic acid Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=CC)C)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC/C(=C/C)/C)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-4-14(3)13-26-18-8-7-17(21)10-16(18)12-23(5-2)19-9-6-15(11-22-19)20(24)25/h4,6-11H,5,12-13H2,1-3H3,(H,24,25)/b14-4+