1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,3-dimethoxyphenyl)methyl]isonipecotic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

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