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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-3-5-10-25-17-8-7-16(20)11-15(17)13-22(4-2)18-9-6-14(12-21-18)19(23)24/h3,5-9,11-12H,4,10,13H2,1-2H3,(H,23,24)/b5-3+