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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H25BrN2O3 MolecularWeight: 433.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25BrN2O3/c1-3-27-19-9-7-16(22)11-17(19)20(18-8-6-14(2)12-23-18)24-10-4-5-15(13-24)21(25)26/h6-9,11-12,15,20H,3-5,10,13H2,1-2H3,(H,25,26)