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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25BrN2O3/c1-2-27-20-9-8-16(22)12-18(20)19(13-17-7-3-4-10-23-17)24-11-5-6-15(14-24)21(25)26/h3-4,7-10,12,15,19H,2,5-6,11,13-14H2,1H3,(H,25,26)