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

Systemtic Name: 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]nicotinic acid Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15BrN2O3/c1-2-18(9-11-7-12(16)4-5-13(11)19)14-6-3-10(8-17-14)15(20)21/h3-8,19H,2,9H2,1H3,(H,20,21)