1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid Openeye Name: 1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid CAS Name: 1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid Traditional Name: 1-[8-(1,3-benzodioxol-5-yl)-1,7-naphthyridin-6-yl]isonipecotic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=NC(=C3C(=C2)C=CC=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=NC(=C3C(=C2)C=CC=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H19N3O4/c25-21(26)13-5-8-24(9-6-13)18-11-14-2-1-7-22-19(14)20(23-18)15-3-4-16-17(10-15)28-12-27-16/h1-4,7,10-11,13H,5-6,8-9,12H2,(H,25,26)