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

Systemtic Name: 1-[thiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-thienyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[thiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[thiophen-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(2-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=CC=CS2)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CS2)N3CCCC(C3)C(=O)O)OC)OC

InChI

InChI=1S/C20H25NO5S/c1-24-15-11-17(26-3)16(25-2)10-14(15)19(18-7-5-9-27-18)21-8-4-6-13(12-21)20(22)23/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,22,23)