1-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-6-oxidanylidene-2-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-6-oxo-2-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-6-oxo-2-(3,4,5-trimethoxyphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-oxo-2-(3,4,5-trimethoxyphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-6-keto-2-(3,4,5-trimethoxyphenyl)nipecotic acid Formula: C22H23NO8 MolecularWeight: 429.41992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(CCC(=O)N2C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(CCC(=O)N2C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H23NO8/c1-27-17-8-12(9-18(28-2)21(17)29-3)20-14(22(25)26)5-7-19(24)23(20)13-4-6-15-16(10-13)31-11-30-15/h4,6,8-10,14,20H,5,7,11H2,1-3H3,(H,25,26)