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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethylphenyl)methyl]pipecolinic acid Formula: C22H25NO4 MolecularWeight: 367.4382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H25NO4/c1-14-6-7-15(2)17(11-14)21(23-10-4-3-5-18(23)22(24)25)16-8-9-19-20(12-16)27-13-26-19/h6-9,11-12,18,21H,3-5,10,13H2,1-2H3,(H,24,25)