1-[4-oxidanylidene-4-(2,4,6-trimethoxyphenyl)butyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[4-oxidanylidene-4-(2,4,6-trimethoxyphenyl)butyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-oxo-4-(2,4,6-trimethoxyphenyl)butyl]piperidine-3-carboxylic acid CAS Name: 1-[4-oxo-4-(2,4,6-trimethoxyphenyl)butyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[4-oxo-4-(2,4,6-trimethoxyphenyl)butyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-keto-4-(2,4,6-trimethoxyphenyl)butyl]nipecotic acid Formula: C19H27NO6 MolecularWeight: 365.42078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC(C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCCN2CCCC(C2)C(=O)O)OC

InChI

InChI=1S/C19H27NO6/c1-24-14-10-16(25-2)18(17(11-14)26-3)15(21)7-5-9-20-8-4-6-13(12-20)19(22)23/h10-11,13H,4-9,12H2,1-3H3,(H,22,23)