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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H32N4O3/c1-25(19-9-7-18(8-10-19)21(27)29-2)22(28)26-13-11-16(12-14-26)15-3-5-17(6-4-15)20(23)24/h3-6,16,18-19H,7-14H2,1-2H3,(H3,23,24)