methyl 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]carbonylamino]-1-pyridin-4-yl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]carbonylamino]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: methyl 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazole-2-carbonyl]amino]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]-oxomethyl]amino]-1-pyridin-4-yl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazole-2-carbonyl]amino]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[[5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazole-2-carbonyl]amino]-1-(4-pyridyl)isonipecotic acid methyl ester Formula: C29H36N8O4 MolecularWeight: 560.64734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)NC(=O)C3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C(=N)N

Isomeric SMILES

COC(=O)C1(CCN(CC1)C2=CC=NC=C2)NC(=O)C3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C(=N)N

InChI

InChI=1S/C29H36N8O4/c1-41-28(40)29(11-15-36(16-12-29)21-9-13-32-14-10-21)35-27(39)26-34-22-17-19(25(30)31)7-8-23(22)37(26)18-24(38)33-20-5-3-2-4-6-20/h7-10,13-14,17,20H,2-6,11-12,15-16,18H2,1H3,(H3,30,31)(H,33,38)(H,35,39)