cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid cyclohexyl ester Formula: C26H38N4O3 MolecularWeight: 454.60492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2CCC(CC2)NC(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)C2CCC(CC2)NC(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H38N4O3/c27-24(28)18-8-12-22(13-9-18)30-16-14-19(15-17-30)25(31)29-21-10-6-20(7-11-21)26(32)33-23-4-2-1-3-5-23/h8-9,12-13,19-21,23H,1-7,10-11,14-17H2,(H3,27,28)(H,29,31)