ethyl 1-[7-(cyclobutylcarbonylamino)-1-methyl-2-pyridin-4-yl-benzimidazol-5-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[7-(cyclobutylcarbonylamino)-1-methyl-2-pyridin-4-yl-benzimidazol-5-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[7-(cyclobutanecarbonylamino)-1-methyl-2-(4-pyridyl)benzimidazole-5-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[7-[[cyclobutyl(oxo)methyl]amino]-1-methyl-2-pyridin-4-yl-5-benzimidazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[7-(cyclobutanecarbonylamino)-1-methyl-2-pyridin-4-ylbenzimidazole-5-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[7-(cyclobutanecarbonylamino)-1-methyl-2-(4-pyridyl)benzimidazole-5-carbonyl]isonipecotic acid ethyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C(=C2)NC(=O)C4CCC4)N(C(=N3)C5=CC=NC=C5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC3=C(C(=C2)NC(=O)C4CCC4)N(C(=N3)C5=CC=NC=C5)C

InChI

InChI=1S/C27H31N5O4/c1-3-36-27(35)19-9-13-32(14-10-19)26(34)20-15-21-23(22(16-20)30-25(33)18-5-4-6-18)31(2)24(29-21)17-7-11-28-12-8-17/h7-8,11-12,15-16,18-19H,3-6,9-10,13-14H2,1-2H3,(H,30,33)