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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-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=NC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5C=C4)C(=O)O

InChI

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