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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(isoquinolin-6-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(6-isoquinolyl)methyl]nipecotic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C23H22N2O4/c26-23(27)19-2-1-9-25(13-19)22(17-5-6-20-21(11-17)29-14-28-20)16-3-4-18-12-24-8-7-15(18)10-16/h3-8,10-12,19,22H,1-2,9,13-14H2,(H,26,27)