1-[4-(8-carbamimidoylimidazo[1,2-a]pyridin-2-yl)phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-(8-carbamimidoylimidazo[1,2-a]pyridin-2-yl)phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(8-carbamimidoylimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(8-carbamimidoyl-2-imidazo[1,2-a]pyridinyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(8-carbamimidoylimidazo[1,2-a]pyridin-2-yl)benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(8-amidinoimidazo[1,2-a]pyridin-2-yl)benzoyl]isonipecotic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)C(=N)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)C(=N)N

InChI

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