3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methyl-piperidine-4-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methyl-piperidine-4-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methyl-piperidine-4-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methyl-4-piperidinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpiperidine-4-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methyl-isonipecotic acid Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C(C1)C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CC(C(C(C1)C2=CC3=C(C=C2)OCO3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H23NO5/c1-22-10-16(13-3-6-15(25-2)7-4-13)20(21(23)24)17(11-22)14-5-8-18-19(9-14)27-12-26-18/h3-9,16-17,20H,10-12H2,1-2H3,(H,23,24)