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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

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