2-methylpropyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: isobutyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]amino]cyclohexanecarboxylic acid isobutyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)COC(=O)C1CCC(CC1)NC(=O)C2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H36N4O3/c1-16(2)15-31-24(30)19-3-7-20(8-4-19)27-23(29)18-11-13-28(14-12-18)21-9-5-17(6-10-21)22(25)26/h5-6,9-10,16,18-20H,3-4,7-8,11-15H2,1-2H3,(H3,25,26)(H,27,29)