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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)-4-piperidyl]carbamoyl]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-4-piperidyl]carbamoyl]cyclohexanecarboxylic acid methyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C(=O)NC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)C(=O)NC2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H30N4O3/c1-28-21(27)16-4-2-15(3-5-16)20(26)24-17-10-12-25(13-11-17)18-8-6-14(7-9-18)19(22)23/h6-9,15-17H,2-5,10-13H2,1H3,(H3,22,23)(H,24,26)