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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(2-pyridyl)methyl]isonipecotic acid Formula: C19H21BrN2O3 MolecularWeight: 405.28564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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