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

Systemtic Name: 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-thienyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-thiophenyl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[thiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(3-thienyl)methyl]nipecotic acid Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CSC=C2)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CSC=C2)N3CCCC(C3)C(=O)O)OC)OC

InChI

InChI=1S/C20H25NO5S/c1-24-16-10-18(26-3)17(25-2)9-15(16)19(14-6-8-27-12-14)21-7-4-5-13(11-21)20(22)23/h6,8-10,12-13,19H,4-5,7,11H2,1-3H3,(H,22,23)