1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[asaryl(benzothiophen-3-yl)methyl]pipecolinic acid Formula: C24H27NO5S MolecularWeight: 441.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC)OC

InChI

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