2-(5-chloranyl-1-benzofuran-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-chloranyl-1-benzofuran-2-yl)-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(5-chlorobenzofuran-2-yl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(5-chloro-2-benzofuranyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-chloro-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(5-chlorobenzofuran-2-yl)-8-isopropyl-cinchoninic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H16ClNO3/c1-11(2)14-4-3-5-15-16(21(24)25)10-17(23-20(14)15)19-9-12-8-13(22)6-7-18(12)26-19/h3-11H,1-2H3,(H,24,25)