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

Systemtic Name: 1-[(5-bromanyl-2-ethoxy-phenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromo-2-ethoxyphenyl)-(5-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-ethoxy-phenyl)-(5-methyl-2-pyridyl)methyl]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(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(C2=NC=C(C=C2)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25BrN2O3/c1-3-27-19-7-5-16(22)12-17(19)20(18-6-4-14(2)13-23-18)24-10-8-15(9-11-24)21(25)26/h4-7,12-13,15,20H,3,8-11H2,1-2H3,(H,25,26)