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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C24H27NO5S MolecularWeight: 441.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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