ethyl (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-ethoxycarbonylpyrazol-3-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[2-(1H-benzimidazol-2-yl)-4-carbethoxy-pyrazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C=NN2C3=NC4=CC=CC=C4N3)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=C(C=NN2C3=NC4=CC=CC=C4N3)C(=O)OCC

InChI

InChI=1S/C22H27N5O4/c1-3-30-20(28)15-8-7-11-26(13-15)14-19-16(21(29)31-4-2)12-23-27(19)22-24-17-9-5-6-10-18(17)25-22/h5-6,9-10,12,15H,3-4,7-8,11,13-14H2,1-2H3,(H,24,25)/t15-/m0/s1