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

Systemtic Name: 1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[6-methyl-2-(3-nitrophenyl)-3-imidazo[1,2-a]pyridinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]isonipecotic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=C2CN3CCC(CC3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=CN2C(=NC(=C2CN3CCC(CC3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])C=C1

InChI

InChI=1S/C21H22N4O4/c1-14-5-6-19-22-20(16-3-2-4-17(11-16)25(28)29)18(24(19)12-14)13-23-9-7-15(8-10-23)21(26)27/h2-6,11-12,15H,7-10,13H2,1H3,(H,26,27)