1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C20H23BrN2O3 MolecularWeight: 419.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-2-26-18-8-7-16(21)11-17(18)19(14-5-3-9-22-12-14)23-10-4-6-15(13-23)20(24)25/h3,5,7-9,11-12,15,19H,2,4,6,10,13H2,1H3,(H,24,25)