ethyl 1-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(1H-benzimidazol-2-yl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(1H-benzimidazol-2-yl)nipecotoyl]isonipecotic acid ethyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H28N4O3/c1-2-28-20(27)15-9-12-24(13-10-15)19(26)16-6-5-11-25(14-16)21-22-17-7-3-4-8-18(17)23-21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,23)