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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-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=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4

InChI

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