1-[1,3-benzodioxol-5-yl(naphthalen-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl(naphthalen-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl(naphthalen-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl(2-naphthyl)methyl]isonipecotic acid Formula: C24H23NO4 MolecularWeight: 389.44372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC3=CC=CC=C3C=C2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23NO4/c26-24(27)17-9-11-25(12-10-17)23(20-7-8-21-22(14-20)29-15-28-21)19-6-5-16-3-1-2-4-18(16)13-19/h1-8,13-14,17,23H,9-12,15H2,(H,26,27)