1-[(3R,4R)-1-(cyclononylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethyl-benzimidazol-2-one

Systemtic Name: 1-[(3R,4R)-1-(cyclononylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethyl-benzimidazol-2-one Openeye Name: 1-[(3R,4R)-1-(cyclononylmethyl)-3-(hydroxymethyl)-4-piperidyl]-3-ethyl-benzimidazol-2-one CAS Name: 1-[(3R,4R)-1-(cyclononylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-2-benzimidazolone IUPAC Name: 1-[(3R,4R)-1-(cyclononylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one Traditional Name: 1-[(3R,4R)-1-(cyclononylmethyl)-3-methylol-4-piperidyl]-3-ethyl-benzimidazol-2-one Formula: C25H39N3O2 MolecularWeight: 413.59606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3CO)CC4CCCCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)[C@@H]3CCN(C[C@H]3CO)CC4CCCCCCCC4

InChI

InChI=1S/C25H39N3O2/c1-2-27-23-13-9-10-14-24(23)28(25(27)30)22-15-16-26(18-21(22)19-29)17-20-11-7-5-3-4-6-8-12-20/h9-10,13-14,20-22,29H,2-8,11-12,15-19H2,1H3/t21-,22+/m0/s1