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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]isonipecotic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC)OC

InChI

InChI=1S/C24H27NO5S/c1-28-19-9-8-17(22(29-2)23(19)30-3)21(25-12-10-15(11-13-25)24(26)27)18-14-31-20-7-5-4-6-16(18)20/h4-9,14-15,21H,10-13H2,1-3H3,(H,26,27)