methyl 4-[[1-(4-carbamimidoylphenyl)-6-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)-6-oxidanylidene-pyridin-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-6-oxo-pyridine-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-6-oxo-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)-6-oxopyridine-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-6-keto-nicotinoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2=CN(C(=O)C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)C2=CN(C(=O)C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H24N4O4/c1-29-21(28)14-2-7-16(8-3-14)24-20(27)15-6-11-18(26)25(12-15)17-9-4-13(5-10-17)19(22)23/h4-6,9-12,14,16H,2-3,7-8H2,1H3,(H3,22,23)(H,24,27)