2-(1-benzofuran-2-yl)-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-6-isopropyl-cinchoninic acid Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H17NO3/c1-12(2)13-7-8-17-15(9-13)16(21(23)24)11-18(22-17)20-10-14-5-3-4-6-19(14)25-20/h3-12H,1-2H3,(H,23,24)