ethyl 1-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-6-thiophen-2-yl-pyridin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-6-(2-thienyl)-2-pyridyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(1-methyl-2-benzimidazolyl)methylamino]-oxomethyl]-6-thiophen-2-yl-2-pyridinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-6-thiophen-2-ylpyridin-2-yl]piperidine-3-carboxylate Traditional Name: 1-[3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]-6-(2-thienyl)-2-pyridyl]nipecotic acid ethyl ester Formula: C27H29N5O3S MolecularWeight: 503.61586

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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=C5N4C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C=CC(=N2)C3=CC=CS3)C(=O)NCC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C27H29N5O3S/c1-3-35-27(34)18-8-6-14-32(17-18)25-19(12-13-21(30-25)23-11-7-15-36-23)26(33)28-16-24-29-20-9-4-5-10-22(20)31(24)2/h4-5,7,9-13,15,18H,3,6,8,14,16-17H2,1-2H3,(H,28,33)