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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-26-19-8-7-15(21)11-17(19)18(12-16-6-2-3-9-22-16)23-10-4-5-14(13-23)20(24)25/h2-3,6-9,11,14,18H,4-5,10,12-13H2,1H3,(H,24,25)