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

Systemtic Name: 1-[[2-(4-bromophenyl)-6-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-(4-bromophenyl)-6-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(4-bromophenyl)-6-methyl-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-(4-bromophenyl)-6-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]isonipecotic acid Formula: C21H22BrN3O2 MolecularWeight: 428.32228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C2CN3CCC(CC3)C(=O)O)C4=CC=C(C=C4)Br)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C2CN3CCC(CC3)C(=O)O)C4=CC=C(C=C4)Br)C=C1

InChI

InChI=1S/C21H22BrN3O2/c1-14-2-7-19-23-20(15-3-5-17(22)6-4-15)18(25(19)12-14)13-24-10-8-16(9-11-24)21(26)27/h2-7,12,16H,8-11,13H2,1H3,(H,26,27)