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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c25-22(26)16-5-6-21-20(12-16)17(13-24-21)3-1-2-4-19-11-15(7-9-23-19)18-8-10-27-14-18/h5-8,10,12-14,19,23-24H,1-4,9,11H2,(H,25,26)