[2-(dimethylamino)-2-oxidanylidene-ethyl] 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C23H34N6O4 MolecularWeight: 458.55386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C)C(=O)COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H34N6O4/c1-27(2)20(30)15-33-22(31)17-3-7-18(8-4-17)26-23(32)29-13-11-28(12-14-29)19-9-5-16(6-10-19)21(24)25/h5-6,9-10,17-18H,3-4,7-8,11-15H2,1-2H3,(H3,24,25)(H,26,32)