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

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-methyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-methyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-methyl-amino]nicotinic acid Formula: C22H21BrN2O3 MolecularWeight: 441.31774

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21BrN2O3/c1-25(21-10-7-18(14-24-21)22(26)27)12-11-17-13-19(23)8-9-20(17)28-15-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)