4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)O)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H28N4O3/c21-18(22)13-3-7-17(8-4-13)24-11-9-14(10-12-24)19(25)23-16-5-1-15(2-6-16)20(26)27/h3-4,7-8,14-16H,1-2,5-6,9-12H2,(H3,21,22)(H,23,25)(H,26,27)