cyclohexylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: cyclohexylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclohexylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid cyclohexylmethyl ester Formula: C26H39N5O3 MolecularWeight: 469.61956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)COC(=O)C2CCC(CC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H39N5O3/c27-24(28)20-8-12-23(13-9-20)30-14-16-31(17-15-30)26(33)29-22-10-6-21(7-11-22)25(32)34-18-19-4-2-1-3-5-19/h8-9,12-13,19,21-22H,1-7,10-11,14-18H2,(H3,27,28)(H,29,33)