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

Systemtic Name: ethyl 1-[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(1-cyclopentylbenzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[1-(1-cyclopentyl-2-benzimidazolyl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(1-cyclopentylbenzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(1-cyclopentylbenzimidazol-2-yl)nipecotoyl]isonipecotic acid ethyl ester Formula: C26H36N4O3 MolecularWeight: 452.58904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3C5CCCC5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)C3=NC4=CC=CC=C4N3C5CCCC5

InChI

InChI=1S/C26H36N4O3/c1-2-33-25(32)19-13-16-28(17-14-19)24(31)20-8-7-15-29(18-20)26-27-22-11-5-6-12-23(22)30(26)21-9-3-4-10-21/h5-6,11-12,19-21H,2-4,7-10,13-18H2,1H3