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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CS2)N3CCCCC3C(=O)O)OC)OC

InChI

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