1-[1-benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(2,5-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H25NO4S/c1-27-17-7-8-19(28-2)18(14-17)22(24-11-9-15(10-12-24)23(25)26)21-13-16-5-3-4-6-20(16)29-21/h3-8,13-15,22H,9-12H2,1-2H3,(H,25,26)