ethyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-1-benzimidazolyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(3-ethyl-2-keto-benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OCC)CC4CCCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OCC)CC4CCCCCCC4

InChI

InChI=1S/C26H39N3O3/c1-3-28-23-14-10-11-15-24(23)29(26(28)31)22-16-17-27(19-21(22)25(30)32-4-2)18-20-12-8-6-5-7-9-13-20/h10-11,14-15,20-22H,3-9,12-13,16-19H2,1-2H3