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

Systemtic Name: 6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(2-chloroallyloxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(2-chloroallyloxy)benzyl]-ethyl-amino]nicotinic acid Formula: C18H18BrClN2O3 MolecularWeight: 425.70412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClN2O3/c1-3-22(17-7-4-13(9-21-17)18(23)24)10-14-8-15(19)5-6-16(14)25-11-12(2)20/h4-9H,2-3,10-11H2,1H3,(H,23,24)