2-morpholin-4-ylethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 2-morpholin-4-ylethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 2-morpholinoethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid 2-morpholinoethyl ester Formula: C25H38N6O4 MolecularWeight: 486.60702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OCCN2CCOCC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)OCCN2CCOCC2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H38N6O4/c26-23(27)19-3-7-22(8-4-19)30-9-11-31(12-10-30)25(33)28-21-5-1-20(2-6-21)24(32)35-18-15-29-13-16-34-17-14-29/h3-4,7-8,20-21H,1-2,5-6,9-18H2,(H3,26,27)(H,28,33)