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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,3,4-trimethoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O)OC)OC

InChI

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