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

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-phenethyl-amino]cyclohexane-1-carboxylate hydrochloride Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethyl-amino]cyclohexanecarboxylate hydrochloride CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-phenethylamino]-1-cyclohexanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-phenethylamino]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-phenethyl-amino]cyclohexanecarboxylic acid methyl ester hydrochloride Formula: C29H39ClN4O3 MolecularWeight: 527.09796

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H38N4O3.ClH/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);1H