methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]-methyl-carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]-methyl-carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]-methyl-carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]-methylcarbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]-methyl-carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C(=O)C3CCC(CC3)C(=O)OC

Isomeric SMILES

CN(C1CCN(CC1)C2=CC=C(C=C2)C(=N)N)C(=O)C3CCC(CC3)C(=O)OC

InChI

InChI=1S/C22H32N4O3/c1-25(21(27)16-3-5-17(6-4-16)22(28)29-2)18-11-13-26(14-12-18)19-9-7-15(8-10-19)20(23)24/h7-10,16-18H,3-6,11-14H2,1-2H3,(H3,23,24)