ethyl 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1H-benzimidazol-2-yl)-1-piperidinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H26N4O3/c1-4-29-22(28)18-13(2)19(23-14(18)3)21(27)26-11-7-8-15(12-26)20-24-16-9-5-6-10-17(16)25-20/h5-6,9-10,15,23H,4,7-8,11-12H2,1-3H3,(H,24,25)