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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC=NC5=CC=CC=C45

InChI

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