3-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-2,2-dimethyl-3-oxidanyl-propanoic acid

Systemtic Name: 3-[2-(7-chloranylquinolin-2-yl)-1-benzofuran-5-yl]-2,2-dimethyl-3-oxidanyl-propanoic acid Openeye Name: 3-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-3-hydroxy-2,2-dimethyl-propanoic acid CAS Name: 3-[2-(7-chloro-2-quinolinyl)-5-benzofuranyl]-3-hydroxy-2,2-dimethylpropanoic acid IUPAC Name: 3-[2-(7-chloroquinolin-2-yl)-1-benzofuran-5-yl]-3-hydroxy-2,2-dimethylpropanoic acid Traditional Name: 3-[2-(7-chloro-2-quinolyl)benzofuran-5-yl]-3-hydroxy-2,2-dimethyl-propionic acid Formula: C22H18ClNO4 MolecularWeight: 395.83562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C(C1=CC2=C(C=C1)OC(=C2)C3=NC4=C(C=CC(=C4)Cl)C=C3)O)C(=O)O

InChI

InChI=1S/C22H18ClNO4/c1-22(2,21(26)27)20(25)13-5-8-18-14(9-13)10-19(28-18)16-7-4-12-3-6-15(23)11-17(12)24-16/h3-11,20,25H,1-2H3,(H,26,27)