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

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridine-3-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]pyridine-3-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridine-3-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]nicotinic acid Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23BrN2O3/c1-2-26(22-11-8-19(15-25-22)23(27)28)13-12-18-14-20(24)9-10-21(18)29-16-17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,27,28)