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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H23BrN2O3/c1-2-26-18-7-6-15(21)13-16(18)19(17-5-3-4-10-22-17)23-11-8-14(9-12-23)20(24)25/h3-7,10,13-14,19H,2,8-9,11-12H2,1H3,(H,24,25)