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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C19H21BrN2O3 MolecularWeight: 405.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H21BrN2O3/c1-25-17-8-7-14(20)11-15(17)18(16-6-2-3-9-21-16)22-10-4-5-13(12-22)19(23)24/h2-3,6-9,11,13,18H,4-5,10,12H2,1H3,(H,23,24)