methyl 4-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-4-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[1-(4-carbamimidoylphenyl)-2-oxo-piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-2-oxo-4-piperidinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[1-(4-carbamimidoylphenyl)-2-oxopiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)-2-keto-isonipecotoyl]-benzyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3CCN(C(=O)C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)C3CCN(C(=O)C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H34N4O4/c1-36-28(35)21-9-13-24(14-10-21)32(18-19-5-3-2-4-6-19)27(34)22-15-16-31(25(33)17-22)23-11-7-20(8-12-23)26(29)30/h2-8,11-12,21-22,24H,9-10,13-18H2,1H3,(H3,29,30)