1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-quinolyl)methyl]isonipecotic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H22N2O4/c26-23(27)16-9-11-25(12-10-16)22(17-6-8-20-21(13-17)29-14-28-20)19-7-5-15-3-1-2-4-18(15)24-19/h1-8,13,16,22H,9-12,14H2,(H,26,27)