1-[[6-bromanyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[6-bromanyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[6-bromo-2-(4-methoxyphenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]isonipecotic acid Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)CN4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)Br)CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H22BrN3O3/c1-28-17-5-2-14(3-6-17)20-18(25-12-16(22)4-7-19(25)23-20)13-24-10-8-15(9-11-24)21(26)27/h2-7,12,15H,8-11,13H2,1H3,(H,26,27)