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

Systemtic Name: 1-[naphthalen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-naphthyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-naphthalenyl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-naphthyl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C26H29NO5 MolecularWeight: 435.51216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O)OC)OC

InChI

InChI=1S/C26H29NO5/c1-30-22-11-10-21(24(31-2)25(22)32-3)23(27-14-12-18(13-15-27)26(28)29)20-9-8-17-6-4-5-7-19(17)16-20/h4-11,16,18,23H,12-15H2,1-3H3,(H,28,29)