1-[naphthalen-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[naphthalen-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-naphthyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-naphthalenyl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(2-naphthyl)methyl]nipecotic acid Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)OC)OC

InChI

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