1-[naphthalen-1-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[naphthalen-1-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-naphthalenyl-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-1-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C26H29NO5 MolecularWeight: 435.51216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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