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

Systemtic Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H36N4O3/c1-35-27(33)24-11-13-25(14-12-24)32(19-20-5-3-2-4-6-20)28(34)31-17-15-22(16-18-31)21-7-9-23(10-8-21)26(29)30/h2-10,22,24-25H,11-19H2,1H3,(H3,29,30)