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

Systemtic Name: methyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-benzimidazol-1-yl)piperidine-4-carboxylate CAS Name: 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxo-1-benzimidazolyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclooctylmethyl)-4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidine-4-carboxylate Traditional Name: 1-(cyclooctylmethyl)-4-(3-ethyl-2-keto-benzimidazol-1-yl)isonipecotic acid methyl ester Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3(CCN(CC3)CC4CCCCCCC4)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)C3(CCN(CC3)CC4CCCCCCC4)C(=O)OC

InChI

InChI=1S/C25H37N3O3/c1-3-27-21-13-9-10-14-22(21)28(24(27)30)25(23(29)31-2)15-17-26(18-16-25)19-20-11-7-5-4-6-8-12-20/h9-10,13-14,20H,3-8,11-12,15-19H2,1-2H3