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

Systemtic Name: 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]nicotinic acid Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-4-22(18-8-5-14(10-21-18)19(23)24)11-15-9-16(20)6-7-17(15)25-12-13(2)3/h5-10H,2,4,11-12H2,1,3H3,(H,23,24)