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

Systemtic Name: 6-[[5-bromanyl-2-(3-methylbut-2-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(3-methylbut-2-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(3-methylbut-2-enoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(3-methylbut-2-enoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(3-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=C(C)C)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-4-23(19-8-5-15(12-22-19)20(24)25)13-16-11-17(21)6-7-18(16)26-10-9-14(2)3/h5-9,11-12H,4,10,13H2,1-3H3,(H,24,25)