piperidin-4-yl 4-[[4-(4-carbamimidoylphenyl)phenyl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride

Systemtic Name: piperidin-4-yl 4-[[4-(4-carbamimidoylphenyl)phenyl]carbonylamino]cyclohexane-1-carboxylate dihydrochloride Openeye Name: 4-piperidyl 4-[[4-(4-carbamimidoylphenyl)benzoyl]amino]cyclohexanecarboxylate dihydrochloride CAS Name: 4-[[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 4-piperidinyl ester dihydrochloride IUPAC Name: piperidin-4-yl 4-[[4-(4-carbamimidoylphenyl)benzoyl]amino]cyclohexane-1-carboxylate dihydrochloride Traditional Name: 4-[[4-(4-amidinophenyl)benzoyl]amino]cyclohexanecarboxylic acid 4-piperidyl ester dihydrochloride Formula: C26H34Cl2N4O3 MolecularWeight: 521.47916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)OC2CCNCC2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CC(CCC1C(=O)OC2CCNCC2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C26H32N4O3.2ClH/c27-24(28)19-5-1-17(2-6-19)18-3-7-20(8-4-18)25(31)30-22-11-9-21(10-12-22)26(32)33-23-13-15-29-16-14-23;;/h1-8,21-23,29H,9-16H2,(H3,27,28)(H,30,31);2*1H