ethyl 1-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6-thiophen-3-yl-pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6-thiophen-3-yl-pyridin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6-(3-thienyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]-oxomethyl]-6-(3-thiophenyl)-2-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6-thiophen-3-ylpyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[1H-benzimidazol-2-ylmethyl(methyl)carbamoyl]-6-(3-thienyl)-2-pyridyl]isonipecotic acid ethyl ester Formula: C27H29N5O3S MolecularWeight: 503.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CSC=C3)C(=O)N(C)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)C3=CSC=C3)C(=O)N(C)CC4=NC5=CC=CC=C5N4

InChI

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