1-[1-(5-bromanyl-2-ethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(5-bromanyl-2-ethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(5-bromo-2-ethoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(5-bromo-2-ethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-bromo-2-ethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(5-bromo-2-ethoxy-phenyl)-2-(2-pyridyl)ethyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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