6-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-bromanyl-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(4-pyridylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(4-pyridylmethoxy)benzyl]-ethyl-amino]nicotinic acid Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=NC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=NC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20BrN3O3/c1-2-25(20-6-3-16(12-24-20)21(26)27)13-17-11-18(22)4-5-19(17)28-14-15-7-9-23-10-8-15/h3-12H,2,13-14H2,1H3,(H,26,27)