methyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-[(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate

Systemtic Name: methyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-[(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate Openeye Name: methyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]-2-[[1-(4-pyridyl)-4-piperidyl]carbamoyl]benzimidazole-4-carboxylate CAS Name: 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-[oxo-[(1-pyridin-4-yl-4-piperidinyl)amino]methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-[(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]benzimidazole-4-carboxylate Traditional Name: 5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]-2-[[1-(4-pyridyl)-4-piperidyl]carbamoyl]benzimidazole-4-carboxylic acid methyl ester Formula: C29H36N8O4 MolecularWeight: 560.64734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC2=C1N=C(N2CC(=O)NC3CCCCC3)C(=O)NC4CCN(CC4)C5=CC=NC=C5)C(=N)N

Isomeric SMILES

COC(=O)C1=C(C=CC2=C1N=C(N2CC(=O)NC3CCCCC3)C(=O)NC4CCN(CC4)C5=CC=NC=C5)C(=N)N

InChI

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