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

Systemtic Name: ethyl 1-(cyclooctylmethyl)-4-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)piperidine-3-carboxylate Openeye Name: ethyl 1-(cyclooctylmethyl)-4-(2-oxo-3-propyl-benzimidazol-1-yl)piperidine-3-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-(2-oxo-3-propyl-1-benzimidazolyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclooctylmethyl)-4-(2-oxo-3-propylbenzimidazol-1-yl)piperidine-3-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(2-keto-3-propyl-benzimidazol-1-yl)nipecotic acid ethyl ester Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OCC)CC4CCCCCCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3C(=O)OCC)CC4CCCCCCC4

InChI

InChI=1S/C27H41N3O3/c1-3-17-29-24-14-10-11-15-25(24)30(27(29)32)23-16-18-28(20-22(23)26(31)33-4-2)19-21-12-8-6-5-7-9-13-21/h10-11,14-15,21-23H,3-9,12-13,16-20H2,1-2H3