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

Systemtic Name: (phenylmethyl) 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: benzyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid benzyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(CCC1C(=O)OCC2=CC=CC=C2)NC(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H33N5O3/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/h1-5,8-9,12-13,21-22H,6-7,10-11,14-18H2,(H3,27,28)(H,29,33)