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

Systemtic Name: 6-[[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[[5-bromo-2-(p-tolylmethoxy)phenyl]methyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[[5-bromo-2-(4-methylbenzyl)oxy-benzyl]-ethyl-amino]nicotinic acid Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O3/c1-3-26(22-11-8-18(13-25-22)23(27)28)14-19-12-20(24)9-10-21(19)29-15-17-6-4-16(2)5-7-17/h4-13H,3,14-15H2,1-2H3,(H,27,28)