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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(4-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(4-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(4-quinolyl)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)OCO3)C4=CC=NC5=CC=CC=C45)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=NC5=CC=CC=C45)C(=O)O

InChI

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