(1-methylpiperidin-4-yl) 4-[[4-(4-carbamimidoylphenyl)phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: (1-methylpiperidin-4-yl) 4-[[4-(4-carbamimidoylphenyl)phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: (1-methyl-4-piperidyl) 4-[[4-(4-carbamimidoylphenyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 4-[[4-(4-carbamimidoylphenyl)benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)benzoyl]amino]cyclohexanecarboxylic acid (1-methyl-4-piperidyl) ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)C2CCC(CC2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1CCC(CC1)OC(=O)C2CCC(CC2)NC(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H34N4O3/c1-31-16-14-24(15-17-31)34-27(33)22-10-12-23(13-11-22)30-26(32)21-8-4-19(5-9-21)18-2-6-20(7-3-18)25(28)29/h2-9,22-24H,10-17H2,1H3,(H3,28,29)(H,30,32)