4-[[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(5-carbamimidoyl-2-pyridyl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(5-carbamimidoyl-2-pyridinyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(5-carbamimidoylpyridin-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(5-amidino-2-pyridyl)benzoyl]amino]cyclohexanecarboxylic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3/c21-18(22)15-7-10-17(23-11-15)12-1-3-13(4-2-12)19(25)24-16-8-5-14(6-9-16)20(26)27/h1-4,7,10-11,14,16H,5-6,8-9H2,(H3,21,22)(H,24,25)(H,26,27)