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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(4-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=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=NC5=CC=CC=C45

InChI

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