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

Systemtic Name: ethyl 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylate Openeye Name: ethyl 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)piperidine-4-carboxylate CAS Name: 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]ethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-1-pyridin-4-ylpiperidine-4-carboxylate Traditional Name: 4-[2-[5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]ethyl]-1-(4-pyridyl)isonipecotic acid ethyl ester Formula: C31H41N7O3 MolecularWeight: 559.70234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCC3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C(=N)N

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C2=CC=NC=C2)CCC3=NC4=C(N3CC(=O)NC5CCCCC5)C=CC(=C4)C(=N)N

InChI

InChI=1S/C31H41N7O3/c1-2-41-30(40)31(14-18-37(19-15-31)24-11-16-34-17-12-24)13-10-27-36-25-20-22(29(32)33)8-9-26(25)38(27)21-28(39)35-23-6-4-3-5-7-23/h8-9,11-12,16-17,20,23H,2-7,10,13-15,18-19,21H2,1H3,(H3,32,33)(H,35,39)