ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-ethylcyclooctyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-[(1-ethylcyclooctyl)methyl]-4-(2-keto-3H-benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCCCC1)CN2CCC(C(C2)C(=O)OCC)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CCC1(CCCCCCC1)CN2CCC(C(C2)C(=O)OCC)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C26H39N3O3/c1-3-26(15-10-6-5-7-11-16-26)19-28-17-14-22(20(18-28)24(30)32-4-2)29-23-13-9-8-12-21(23)27-25(29)31/h8-9,12-13,20,22H,3-7,10-11,14-19H2,1-2H3,(H,27,31)