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

Systemtic Name: 1-[thiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[3-thienyl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[3-thiophenyl-(2,3,4-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[thiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[3-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=CSC=C2)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CSC=C2)N3CCCCC3C(=O)O)OC)OC

InChI

InChI=1S/C20H25NO5S/c1-24-16-8-7-14(18(25-2)19(16)26-3)17(13-9-11-27-12-13)21-10-5-4-6-15(21)20(22)23/h7-9,11-12,15,17H,4-6,10H2,1-3H3,(H,22,23)