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

Systemtic Name: 1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-naphthyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-naphthalenyl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-1-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(1-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=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC3=CC=CC=C32)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(27-13-7-10-18(16-27)26(28)29)20-12-6-9-17-8-4-5-11-19(17)20/h4-6,8-9,11-12,14-15,18,25H,7,10,13,16H2,1-3H3,(H,28,29)