4-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-1H-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridin-3-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(4-carbamimidoylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(4-amidinophenyl)-2-keto-1H-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=CNC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2=CC(=CNC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O4/c21-17(22)12-3-1-11(2-4-12)14-9-16(18(25)23-10-14)19(26)24-15-7-5-13(6-8-15)20(27)28/h1-4,9-10,13,15H,5-8H2,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)