4-[[1-(4-carbamimidoylphenyl)-6-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)-6-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)-6-oxo-pyridine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-6-oxo-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)-6-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)-6-keto-nicotinoyl]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=CN(C(=O)C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c21-18(22)12-3-8-16(9-4-12)24-11-14(5-10-17(24)25)19(26)23-15-6-1-13(2-7-15)20(27)28/h3-5,8-11,13,15H,1-2,6-7H2,(H3,21,22)(H,23,26)(H,27,28)