1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[2-(4-carbamimidoylphenyl)-3-methyl-5-imidazo[4,5-b]pyridinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-5-yl]isonipecotic acid Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=N2)N3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=CC(=N2)N3CCC(CC3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C20H22N6O2/c1-25-18(13-4-2-12(3-5-13)17(21)22)23-15-6-7-16(24-19(15)25)26-10-8-14(9-11-26)20(27)28/h2-7,14H,8-11H2,1H3,(H3,21,22)(H,27,28)