7,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: 7,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: 7,8-dimethyl-2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 7,8-dimethyl-2-(5-methyl-2-furanyl)-4-quinolinecarboxylate IUPAC Name: 7,8-dimethyl-2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 7,8-dimethyl-2-(5-methyl-2-furyl)cinchoninate Formula: C17H14NO3- MolecularWeight: 280.29796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(O3)C)C(=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CC=C(O3)C)C(=O)[O-])C

InChI

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