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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]methylamino]cyclohexanecarboxylate CAS Name: 4-[[1-(4-carbamimidoylphenyl)-4-piperidinyl]methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]methylamino]cyclohexanecarboxylic acid methyl ester Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NCC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H32N4O2/c1-27-21(26)17-2-6-18(7-3-17)24-14-15-10-12-25(13-11-15)19-8-4-16(5-9-19)20(22)23/h4-5,8-9,15,17-18,24H,2-3,6-7,10-14H2,1H3,(H3,22,23)