1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)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)C=NC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O4/c26-23(27)19-3-1-2-10-25(19)22(17-6-7-20-21(12-17)29-14-28-20)16-4-5-18-13-24-9-8-15(18)11-16/h4-9,11-13,19,22H,1-3,10,14H2,(H,26,27)