cyclohexyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]propanoate dihydrochloride

Systemtic Name: cyclohexyl 3-[4-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperazin-1-yl]propanoate dihydrochloride Openeye Name: cyclohexyl 3-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]propanoate dihydrochloride CAS Name: 3-[4-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-1-piperazinyl]propanoic acid cyclohexyl ester dihydrochloride IUPAC Name: cyclohexyl 3-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]propanoate dihydrochloride Traditional Name: 3-[4-[4-(4-amidinophenyl)benzoyl]piperazino]propionic acid cyclohexyl ester dihydrochloride Formula: C27H36Cl2N4O3 MolecularWeight: 535.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl.Cl

InChI

InChI=1S/C27H34N4O3.2ClH/c28-26(29)22-10-6-20(7-11-22)21-8-12-23(13-9-21)27(33)31-18-16-30(17-19-31)15-14-25(32)34-24-4-2-1-3-5-24;;/h6-13,24H,1-5,14-19H2,(H3,28,29);2*1H