7-cyano-7-quinolin-2-yl-7-thiophen-2-yl-heptanoic acid

Systemtic Name: 7-cyano-7-quinolin-2-yl-7-thiophen-2-yl-heptanoic acid Openeye Name: 7-cyano-7-(2-quinolyl)-7-(2-thienyl)heptanoic acid CAS Name: 7-cyano-7-(2-quinolinyl)-7-thiophen-2-ylheptanoic acid IUPAC Name: 7-cyano-7-quinolin-2-yl-7-thiophen-2-ylheptanoic acid Traditional Name: 7-cyano-7-(2-quinolyl)-7-(2-thienyl)enanthic acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(CCCCCC(=O)O)(C#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(CCCCCC(=O)O)(C#N)C3=CC=CS3

InChI

InChI=1S/C21H20N2O2S/c22-15-21(19-9-6-14-26-19,13-5-1-2-10-20(24)25)18-12-11-16-7-3-4-8-17(16)23-18/h3-4,6-9,11-12,14H,1-2,5,10,13H2,(H,24,25)