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

Systemtic Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid cyclohexyl ester Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N5O3/c26-23(27)18-8-12-21(13-9-18)29-14-16-30(17-15-29)25(32)28-20-10-6-19(7-11-20)24(31)33-22-4-2-1-3-5-22/h8-9,12-13,19-20,22H,1-7,10-11,14-17H2,(H3,26,27)(H,28,32)