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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)OC)OC

InChI

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