methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-6-yl]oxy]-2,2-dimethyl-propanoate

Systemtic Name: methyl 3-[[2-(7-chloranylquinolin-2-yl)-1-benzofuran-6-yl]oxy]-2,2-dimethyl-propanoate Openeye Name: methyl 3-[2-(7-chloro-2-quinolyl)benzofuran-6-yl]oxy-2,2-dimethyl-propanoate CAS Name: 3-[[2-(7-chloro-2-quinolinyl)-6-benzofuranyl]oxy]-2,2-dimethylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloroquinolin-2-yl)-1-benzofuran-6-yl]oxy]-2,2-dimethylpropanoate Traditional Name: 3-[2-(7-chloro-2-quinolyl)benzofuran-6-yl]oxy-2,2-dimethyl-propionic acid methyl ester Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=CC2=C(C=C1)C=C(O2)C3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)OC

Isomeric SMILES

CC(C)(COC1=CC2=C(C=C1)C=C(O2)C3=NC4=C(C=CC(=C4)Cl)C=C3)C(=O)OC

InChI

InChI=1S/C23H20ClNO4/c1-23(2,22(26)27-3)13-28-17-8-5-15-10-21(29-20(15)12-17)18-9-6-14-4-7-16(24)11-19(14)25-18/h4-12H,13H2,1-3H3