1-[[(2E)-2-(2-oxidanylidenequinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[(2E)-2-(2-oxidanylidenequinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[(2E)-2-(2-oxo-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[(2E)-2-(2-oxo-3-quinolinylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[(2E)-2-(2-oxoquinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[(2E)-2-(2-keto-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methyl]isonipecotic acid Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)NC(=C4C=C5C=CC=CC5=NC4=O)N3

Isomeric SMILES

C1CN(CCC1C(=O)O)CC2=CC3=C(C=C2)N/C(=C\4/C=C5C=CC=CC5=NC4=O)/N3

InChI

InChI=1S/C23H22N4O3/c28-22-17(12-16-3-1-2-4-18(16)26-22)21-24-19-6-5-14(11-20(19)25-21)13-27-9-7-15(8-10-27)23(29)30/h1-6,11-12,15,24-25H,7-10,13H2,(H,29,30)/b21-17+