1-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridin-6-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridine-6-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(4-carbamimidoylphenyl)-6-imidazo[1,2-a]pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-carbamimidoylphenyl)imidazo[1,2-a]pyridine-6-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-amidinophenyl)imidazo[1,2-a]pyridine-6-carbonyl]isonipecotic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CN3C=C(N=C3C=C2)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CN3C=C(N=C3C=C2)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H21N5O3/c22-19(23)14-3-1-13(2-4-14)17-12-26-11-16(5-6-18(26)24-17)20(27)25-9-7-15(8-10-25)21(28)29/h1-6,11-12,15H,7-10H2,(H3,22,23)(H,28,29)