ethyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate

Systemtic Name: ethyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate Openeye Name: ethyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]-2-ethyl-6-[1-(4-pyridyl)-4-piperidyl]benzimidazole-4-carboxylate CAS Name: 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-ethyl-6-(1-pyridin-4-yl-4-piperidinyl)-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-ethyl-6-(1-pyridin-4-ylpiperidin-4-yl)benzimidazole-4-carboxylate Traditional Name: 5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]-2-ethyl-6-[1-(4-pyridyl)-4-piperidyl]benzimidazole-4-carboxylic acid ethyl ester Formula: C31H41N7O3 MolecularWeight: 559.70234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC(=O)NC3CCCCC3)C=C(C(=C2C(=O)OCC)C(=N)N)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CCC1=NC2=C(N1CC(=O)NC3CCCCC3)C=C(C(=C2C(=O)OCC)C(=N)N)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C31H41N7O3/c1-3-25-36-29-24(38(25)19-26(39)35-21-8-6-5-7-9-21)18-23(27(30(32)33)28(29)31(40)41-4-2)20-12-16-37(17-13-20)22-10-14-34-15-11-22/h10-11,14-15,18,20-21H,3-9,12-13,16-17,19H2,1-2H3,(H3,32,33)(H,35,39)