methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidin-4-yl]carbonyl-(3-phenylpropyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexanecarboxylate CAS Name: 4-[[[1-(4-carbamimidoylphenyl)-4-piperidinyl]-oxomethyl]-(3-phenylpropyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]-(3-phenylpropyl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[[1-(4-amidinophenyl)isonipecotoyl]-(3-phenylpropyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C30H40N4O3 MolecularWeight: 504.6636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CCCC2=CC=CC=C2)C(=O)C3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C30H40N4O3/c1-37-30(36)25-11-15-27(16-12-25)34(19-5-8-22-6-3-2-4-7-22)29(35)24-17-20-33(21-18-24)26-13-9-23(10-14-26)28(31)32/h2-4,6-7,9-10,13-14,24-25,27H,5,8,11-12,15-21H2,1H3,(H3,31,32)