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

Systemtic Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(quinolin-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(3-quinolyl)methyl]isonipecotic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5N=C4

InChI

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