[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(5-methyl-2-furyl)quinoline-4-carboxylate CAS Name: 2-(5-methyl-2-furanyl)-4-quinolinecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-methyl-2-furyl)cinchoninic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C

InChI

InChI=1S/C25H21NO4/c1-15-8-9-16(2)19(12-15)23(27)14-29-25(28)20-13-22(24-11-10-17(3)30-24)26-21-7-5-4-6-18(20)21/h4-13H,14H2,1-3H3