1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-methoxyphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-methoxy-phenyl)-(3-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=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

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

InChI

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