3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2-thienyl)-1,2,3,6-tetrahydropyridin-2-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-thienyl)-1,2,3,6-tetrahydropyridin-2-yl]butyl]-1H-indole-5-carboxylic acid Formula: C22H24N2O2S MolecularWeight: 380.50316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(N1)CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1C=C(CC(N1)CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C22H24N2O2S/c25-22(26)16-7-8-20-19(13-16)17(14-24-20)4-1-2-5-18-12-15(9-10-23-18)21-6-3-11-27-21/h3,6-9,11,13-14,18,23-24H,1-2,4-5,10,12H2,(H,25,26)