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

Systemtic Name: 1-[1,3-benzothiazol-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzothiazol-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzothiazol-2-yl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzothiazol-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(1,3-benzothiazol-2-yl)methyl]nipecotic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O)OC)OC

InChI

InChI=1S/C23H26N2O5S/c1-28-17-12-19(30-3)18(29-2)11-15(17)21(25-10-6-7-14(13-25)23(26)27)22-24-16-8-4-5-9-20(16)31-22/h4-5,8-9,11-12,14,21H,6-7,10,13H2,1-3H3,(H,26,27)