3,6-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 3,6-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 3,6-dimethyl-2-(5-methyl-2-furyl)quinoline-4-carboxylic acid CAS Name: 3,6-dimethyl-2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid IUPAC Name: 3,6-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 3,6-dimethyl-2-(5-methyl-2-furyl)cinchoninic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(O3)C)C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(O3)C)C)C(=O)O

InChI

InChI=1S/C17H15NO3/c1-9-4-6-13-12(8-9)15(17(19)20)11(3)16(18-13)14-7-5-10(2)21-14/h4-8H,1-3H3,(H,19,20)