ethyl 1-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)-6-(2-thienyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[3-[(1H-benzimidazol-2-ylmethylamino)-oxomethyl]-6-thiophen-2-yl-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)-6-thiophen-2-ylpyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-(1H-benzimidazol-2-ylmethylcarbamoyl)-6-(2-thienyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H27N5O3S/c1-2-34-26(33)17-7-5-13-31(16-17)24-18(11-12-21(30-24)22-10-6-14-35-22)25(32)27-15-23-28-19-8-3-4-9-20(19)29-23/h3-4,6,8-12,14,17H,2,5,7,13,15-16H2,1H3,(H,27,32)(H,28,29)