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

Systemtic Name: 6-[[5-bromanyl-2-[(3-chlorophenyl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(3-chlorobenzyl)oxy-benzyl]-ethyl-amino]nicotinic acid Formula: C22H20BrClN2O3 MolecularWeight: 475.7628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN2O3/c1-2-26(21-9-6-16(12-25-21)22(27)28)13-17-11-18(23)7-8-20(17)29-14-15-4-3-5-19(24)10-15/h3-12H,2,13-14H2,1H3,(H,27,28)