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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O3/c1-2-25(21-11-8-17(13-24-21)22(26)27)14-18-12-19(23)9-10-20(18)28-15-16-6-4-3-5-7-16/h3-13H,2,14-15H2,1H3,(H,26,27)