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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-phenethyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-phenethyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H38N4O3/c1-36-29(35)24-9-13-26(14-10-24)33(20-15-21-5-3-2-4-6-21)28(34)23-16-18-32(19-17-23)25-11-7-22(8-12-25)27(30)31/h2-8,11-12,23-24,26H,9-10,13-20H2,1H3,(H3,30,31)